REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ene_1_A DATA FIRST_RESID 144 DATA SEQUENCE SEESQAFQRQ LTALIGYDVT DVSNVHDDEL EFTRRGLVTP RMAEVASRDP DATA SEQUENCE KLYAMHPWVT SKPLPEYLWK KIANNCIFIV IHRSTTSQTI KVSPDDTPGA DATA SEQUENCE ILQSFFTKMA KXXXXXXXXX XXXXQDFVLR VCGRDEYLVG ETPIKNFQWV DATA SEQUENCE RHCLKNGEEI HVVLDTPPDP ALDEVRKEEW XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXCDRKFRV KIRGIDIPVL PRNTDLTVFV EANIQHGQQV DATA SEQUENCE LCQRRTSPKP FTEEVLWNVW LEFSIKIKDL PKGALLNLQI YCXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXRLLYY VNLLLIDHRF LLRRGEYVLH MWQISGXXXX DATA SEQUENCE XXXFNADKLT SATNPDKENS MSISILLDNX XHPIAXXXXX XXXXXXXXXX DATA SEQUENCE RAEMPNQLRK QLEAIIATDP LNPLTAEDKE LLWHFRYESL KHPKAYPKLF DATA SEQUENCE SSVKWGQQEI VAKTYQLLAR REVWDQSALD VGLTMQLLDC NFSDENVRAI DATA SEQUENCE AVQKLESLED DDVLHYLLQL VQAVKFEPYH DSALARFLLK RGLRNKRIGH DATA SEQUENCE FLFWFLRSEI AQSRHYQQRF AVILEAYLRG CGTAMLHDFT QQVQVIEMLQ DATA SEQUENCE KVTLDIKSLS AEKYDVSSQV ISQLKQKLEN LQNSQLPESF RVPYDPGLKA DATA SEQUENCE GALAIEKCKV MASKKKPLWL EFKCADPTAL SNETIGIIFK HGDDLRQDML DATA SEQUENCE ILQILRIMES IWETESLDLC LLPYGCISTG DKIGMIEIVK DATTIAKIQQ DATA SEQUENCE STVGNTGAFK DEVLNHWLKE KSPTEEKFQA AVERFVYSCA GYCVATFVLG DATA SEQUENCE IGDRHNDNIM ITETGNLFHI DFGHXXXXXX XXXXXXXERV PFVLTPDFLF DATA SEQUENCE VMGTSGKKTS PHFQKFQDIC VKAYLALRHH TNLLIILFSM MLMTGMPQLT DATA SEQUENCE SKEDIEYIRD ALTVGKNEED AKKYFLDQIE VCRDKGWTVQ FNWFLHLVL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 144 S HA 0.000 nan 4.470 nan 0.000 0.327 144 S C 0.000 174.586 174.600 -0.023 0.000 1.055 144 S CA 0.000 58.185 58.200 -0.025 0.000 1.107 144 S CB 0.000 63.184 63.200 -0.026 0.000 0.593 145 E N 0.030 120.220 120.200 -0.016 0.000 2.216 145 E HA 0.098 4.463 4.350 0.026 0.000 0.192 145 E C 0.594 177.193 176.600 -0.001 0.000 0.973 145 E CA 0.374 56.767 56.400 -0.011 0.000 0.851 145 E CB 0.091 29.785 29.700 -0.010 0.000 0.804 145 E HN 0.635 nan 8.360 nan 0.000 0.477 146 E N 0.398 120.596 120.200 -0.004 0.000 2.502 146 E HA -0.031 4.335 4.350 0.026 0.000 0.194 146 E C 1.654 178.274 176.600 0.033 0.000 1.062 146 E CA 0.118 56.522 56.400 0.007 0.000 0.867 146 E CB 0.303 29.992 29.700 -0.019 0.000 0.888 146 E HN 0.061 nan 8.360 nan 0.000 0.510 147 S N 0.087 115.801 115.700 0.024 0.000 2.425 147 S HA -0.065 4.421 4.470 0.026 0.000 0.225 147 S C 1.784 176.414 174.600 0.049 0.000 1.024 147 S CA 0.490 58.722 58.200 0.054 0.000 0.951 147 S CB 0.220 63.406 63.200 -0.023 0.000 0.796 147 S HN 0.159 nan 8.310 nan 0.000 0.498 148 Q N 0.554 120.362 119.800 0.013 0.000 2.049 148 Q HA 0.134 4.490 4.340 0.026 0.000 0.198 148 Q C 2.588 178.598 176.000 0.015 0.000 0.971 148 Q CA 1.347 57.145 55.803 -0.008 0.000 0.833 148 Q CB -0.425 28.303 28.738 -0.017 0.000 0.896 148 Q HN 0.726 nan 8.270 nan 0.000 0.434 149 A N 0.536 123.383 122.820 0.046 0.000 1.902 149 A HA -0.204 4.132 4.320 0.026 0.000 0.217 149 A C 1.835 179.488 177.584 0.116 0.000 1.181 149 A CA 1.202 53.276 52.037 0.061 0.000 0.623 149 A CB -0.755 18.280 19.000 0.058 0.000 0.818 149 A HN 0.477 nan 8.150 nan 0.000 0.443 150 F N 0.564 120.494 119.950 -0.033 0.000 2.234 150 F HA -0.105 4.437 4.527 0.026 0.000 0.299 150 F C 2.195 177.978 175.800 -0.029 0.000 1.087 150 F CA 1.918 59.901 58.000 -0.028 0.000 1.340 150 F CB -0.412 38.566 39.000 -0.037 0.000 1.031 150 F HN 0.325 nan 8.300 nan 0.000 0.500 151 Q N 0.552 120.259 119.800 -0.154 0.000 2.172 151 Q HA -0.081 4.275 4.340 0.026 0.000 0.200 151 Q C 2.296 178.198 176.000 -0.163 0.000 0.964 151 Q CA 1.527 57.180 55.803 -0.249 0.000 0.855 151 Q CB -0.241 28.398 28.738 -0.164 0.000 0.918 151 Q HN 0.372 nan 8.270 nan 0.000 0.444 152 R N -0.655 119.796 120.500 -0.082 0.000 2.115 152 R HA -0.052 4.304 4.340 0.026 0.000 0.226 152 R C 2.306 178.582 176.300 -0.040 0.000 1.100 152 R CA 1.142 57.211 56.100 -0.052 0.000 0.980 152 R CB -0.058 30.228 30.300 -0.023 0.000 0.875 152 R HN 0.392 nan 8.270 nan 0.000 0.445 153 Q N 0.666 120.451 119.800 -0.025 0.000 2.050 153 Q HA -0.158 4.198 4.340 0.026 0.000 0.202 153 Q C 2.151 178.125 176.000 -0.044 0.000 0.980 153 Q CA 1.420 57.226 55.803 0.006 0.000 0.840 153 Q CB -0.017 28.775 28.738 0.090 0.000 0.898 153 Q HN 0.353 nan 8.270 nan 0.000 0.424 154 L N -0.231 120.899 121.223 -0.154 0.000 2.046 154 L HA -0.207 4.149 4.340 0.026 0.000 0.208 154 L C 2.518 179.337 176.870 -0.086 0.000 1.077 154 L CA 1.389 56.133 54.840 -0.159 0.000 0.747 154 L CB -0.699 41.179 42.059 -0.301 0.000 0.896 154 L HN 0.237 nan 8.230 nan 0.000 0.432 155 T N -0.046 114.456 114.554 -0.086 0.000 2.684 155 T HA -0.238 4.127 4.350 0.026 0.000 0.267 155 T C 2.009 176.689 174.700 -0.034 0.000 1.036 155 T CA 1.545 63.608 62.100 -0.062 0.000 1.148 155 T CB -0.264 68.558 68.868 -0.076 0.000 0.863 155 T HN 0.479 nan 8.240 nan 0.000 0.436 156 A N 1.004 123.812 122.820 -0.022 0.000 1.902 156 A HA -0.001 4.335 4.320 0.026 0.000 0.217 156 A C 2.320 179.916 177.584 0.019 0.000 1.181 156 A CA 1.271 53.310 52.037 0.004 0.000 0.623 156 A CB -0.845 18.164 19.000 0.016 0.000 0.818 156 A HN 0.484 nan 8.150 nan 0.000 0.443 157 L N -0.875 120.364 121.223 0.028 0.000 2.046 157 L HA -0.167 4.188 4.340 0.026 0.000 0.208 157 L C 2.459 179.311 176.870 -0.031 0.000 1.077 157 L CA 1.311 56.189 54.840 0.064 0.000 0.747 157 L CB -0.454 41.677 42.059 0.121 0.000 0.896 157 L HN 0.364 nan 8.230 nan 0.000 0.432 158 I N -0.696 119.842 120.570 -0.053 0.000 2.353 158 I HA -0.100 4.086 4.170 0.026 0.000 0.248 158 I C 1.688 177.768 176.117 -0.062 0.000 1.119 158 I CA 1.098 62.338 61.300 -0.100 0.000 1.417 158 I CB -0.400 37.582 38.000 -0.029 0.000 1.078 158 I HN 0.452 nan 8.210 nan 0.000 0.421 159 G N -0.071 108.726 108.800 -0.005 0.000 2.143 159 G HA2 -0.321 3.655 3.960 0.026 0.000 0.249 159 G HA3 -0.321 3.655 3.960 0.026 0.000 0.249 159 G C -0.062 174.905 174.900 0.111 0.000 0.981 159 G CA 0.112 45.232 45.100 0.032 0.000 0.665 159 G HN 0.370 nan 8.290 nan 0.000 0.528 160 Y N -0.078 120.198 120.300 -0.040 0.000 2.519 160 Y HA 0.524 5.090 4.550 0.027 0.000 0.336 160 Y C -1.568 174.311 175.900 -0.035 0.000 1.089 160 Y CA -1.159 56.924 58.100 -0.028 0.000 1.025 160 Y CB 2.032 40.480 38.460 -0.019 0.000 1.318 160 Y HN 0.058 nan 8.280 nan 0.000 0.452 161 D N 3.906 123.919 120.400 -0.645 0.000 2.396 161 D HA 0.214 4.870 4.640 0.026 0.000 0.225 161 D C 0.755 176.912 176.300 -0.239 0.000 1.121 161 D CA -0.151 53.638 54.000 -0.352 0.000 0.853 161 D CB 1.294 41.901 40.800 -0.321 0.000 1.043 161 D HN 0.472 nan 8.370 nan 0.000 0.500 162 V N 1.925 121.844 119.914 0.009 0.000 3.510 162 V HA -0.004 4.132 4.120 0.026 0.000 0.270 162 V C 1.481 177.604 176.094 0.049 0.000 1.201 162 V CA 1.510 63.878 62.300 0.114 0.000 1.166 162 V CB -1.097 30.789 31.823 0.104 0.000 0.825 162 V HN 0.633 nan 8.190 nan 0.000 0.484 163 T N -3.319 111.226 114.554 -0.015 0.000 3.022 163 T HA 0.123 4.488 4.350 0.026 0.000 0.250 163 T C 0.581 175.267 174.700 -0.023 0.000 1.060 163 T CA 0.350 62.441 62.100 -0.015 0.000 1.013 163 T CB -0.318 68.525 68.868 -0.043 0.000 0.982 163 T HN 0.525 nan 8.240 nan 0.000 0.508 164 D N 0.647 121.012 120.400 -0.058 0.000 2.443 164 D HA 0.205 4.861 4.640 0.026 0.000 0.239 164 D C 0.048 176.345 176.300 -0.005 0.000 1.136 164 D CA 0.182 54.143 54.000 -0.064 0.000 0.879 164 D CB 0.836 41.546 40.800 -0.150 0.000 1.195 164 D HN 0.026 nan 8.370 nan 0.000 0.443 165 V N 3.141 123.055 119.914 -0.001 0.000 2.872 165 V HA 0.024 4.159 4.120 0.026 0.000 0.367 165 V C 1.177 177.279 176.094 0.013 0.000 1.343 165 V CA 0.359 62.671 62.300 0.021 0.000 1.219 165 V CB 0.205 32.045 31.823 0.029 0.000 1.308 165 V HN 0.711 nan 8.190 nan 0.000 0.610 166 S N -0.419 115.283 115.700 0.002 0.000 2.425 166 S HA 0.029 4.515 4.470 0.026 0.000 0.225 166 S C 1.137 175.733 174.600 -0.007 0.000 1.024 166 S CA 0.939 59.133 58.200 -0.010 0.000 0.951 166 S CB -0.123 63.060 63.200 -0.028 0.000 0.796 166 S HN 0.515 nan 8.310 nan 0.000 0.498 167 N N 0.877 119.581 118.700 0.007 0.000 3.040 167 N HA 0.459 5.215 4.740 0.026 0.000 0.305 167 N C -1.582 173.929 175.510 0.002 0.000 1.611 167 N CA -0.275 52.774 53.050 -0.002 0.000 1.049 167 N CB 0.879 39.368 38.487 0.003 0.000 1.342 167 N HN 0.185 nan 8.380 nan 0.000 0.497 168 V N 1.959 121.879 119.914 0.010 0.000 2.888 168 V HA 0.258 4.393 4.120 0.026 0.000 0.309 168 V C 0.590 176.717 176.094 0.055 0.000 1.114 168 V CA -0.715 61.577 62.300 -0.013 0.000 0.940 168 V CB 1.905 33.735 31.823 0.012 0.000 1.021 168 V HN 0.665 nan 8.190 nan 0.000 0.426 169 H N 1.619 120.772 119.070 0.139 0.000 2.592 169 H HA 0.341 4.913 4.556 0.026 0.000 0.265 169 H C -0.214 175.230 175.328 0.194 0.000 0.955 169 H CA 0.322 56.486 56.048 0.193 0.000 1.175 169 H CB 0.998 30.938 29.762 0.295 0.000 1.433 169 H HN 0.725 nan 8.280 nan 0.000 0.537 170 D N 0.512 121.072 120.400 0.267 0.000 2.865 170 D HA -0.058 4.598 4.640 0.026 0.000 0.343 170 D C -0.631 175.779 176.300 0.183 0.000 1.372 170 D CA -0.422 53.745 54.000 0.278 0.000 0.862 170 D CB 0.268 41.321 40.800 0.423 0.000 1.425 170 D HN 0.078 nan 8.370 nan 0.000 0.501 171 D N -1.094 119.440 120.400 0.224 0.000 2.525 171 D HA 0.057 4.713 4.640 0.026 0.000 0.229 171 D C 0.736 177.077 176.300 0.068 0.000 1.202 171 D CA -0.207 53.893 54.000 0.166 0.000 0.828 171 D CB 0.200 41.119 40.800 0.198 0.000 1.008 171 D HN 0.566 nan 8.370 nan 0.000 0.493 172 E N 0.508 120.670 120.200 -0.063 0.000 2.085 172 E HA -0.153 4.213 4.350 0.026 0.000 0.194 172 E C 1.870 178.443 176.600 -0.047 0.000 0.994 172 E CA 0.767 56.927 56.400 -0.401 0.000 0.801 172 E CB 0.072 29.706 29.700 -0.110 0.000 0.743 172 E HN 0.345 nan 8.360 nan 0.000 0.453 173 L N 0.833 122.062 121.223 0.011 0.000 2.017 173 L HA -0.200 4.156 4.340 0.026 0.000 0.208 173 L C 2.636 179.523 176.870 0.029 0.000 1.073 173 L CA 1.049 55.861 54.840 -0.048 0.000 0.745 173 L CB -0.391 41.609 42.059 -0.099 0.000 0.894 173 L HN 0.109 nan 8.230 nan 0.000 0.432 174 E N -0.245 120.004 120.200 0.081 0.000 2.051 174 E HA -0.231 4.135 4.350 0.026 0.000 0.192 174 E C 2.063 178.751 176.600 0.146 0.000 0.991 174 E CA 1.228 57.709 56.400 0.133 0.000 0.799 174 E CB -0.416 29.380 29.700 0.160 0.000 0.748 174 E HN 0.330 nan 8.360 nan 0.000 0.449 175 F N 1.944 121.894 119.950 -0.002 0.000 2.154 175 F HA -0.221 4.321 4.527 0.026 0.000 0.301 175 F C 2.317 178.094 175.800 -0.038 0.000 1.087 175 F CA 1.663 59.660 58.000 -0.004 0.000 1.274 175 F CB -0.250 38.736 39.000 -0.024 0.000 1.009 175 F HN -0.034 nan 8.300 nan 0.000 0.485 176 T N -0.121 114.464 114.554 0.053 0.000 2.904 176 T HA -0.090 4.276 4.350 0.026 0.000 0.267 176 T C 2.007 176.653 174.700 -0.090 0.000 1.059 176 T CA 0.979 63.068 62.100 -0.018 0.000 1.137 176 T CB -0.137 68.762 68.868 0.052 0.000 0.879 176 T HN 0.236 nan 8.240 nan 0.000 0.467 177 R N 0.965 121.433 120.500 -0.052 0.000 2.073 177 R HA 0.041 4.397 4.340 0.026 0.000 0.234 177 R C 2.725 178.791 176.300 -0.390 0.000 1.134 177 R CA 1.088 57.154 56.100 -0.058 0.000 0.952 177 R CB -0.134 30.277 30.300 0.184 0.000 0.850 177 R HN 0.300 nan 8.270 nan 0.000 0.433 178 R N -0.195 120.047 120.500 -0.429 0.000 2.092 178 R HA -0.029 4.327 4.340 0.026 0.000 0.231 178 R C 2.350 178.294 176.300 -0.594 0.000 1.119 178 R CA 1.342 57.029 56.100 -0.688 0.000 0.970 178 R CB -0.525 29.554 30.300 -0.368 0.000 0.864 178 R HN 0.336 nan 8.270 nan 0.000 0.440 179 G N 1.566 110.074 108.800 -0.486 0.000 2.408 179 G HA2 -0.167 3.809 3.960 0.026 0.000 0.217 179 G HA3 -0.167 3.809 3.960 0.026 0.000 0.217 179 G C 1.465 176.201 174.900 -0.273 0.000 1.150 179 G CA 0.155 45.021 45.100 -0.391 0.000 0.776 179 G HN 0.146 nan 8.290 nan 0.000 0.542 180 L N 0.837 121.909 121.223 -0.252 0.000 2.552 180 L HA 0.032 4.388 4.340 0.026 0.000 0.227 180 L C 2.599 179.346 176.870 -0.204 0.000 1.146 180 L CA -0.263 54.477 54.840 -0.167 0.000 0.858 180 L CB -0.029 41.973 42.059 -0.096 0.000 0.969 180 L HN 0.060 nan 8.230 nan 0.000 0.451 181 V N -0.584 119.114 119.914 -0.360 0.000 2.427 181 V HA -0.246 3.889 4.120 0.026 0.000 0.248 181 V C 2.490 178.463 176.094 -0.201 0.000 1.051 181 V CA 2.163 64.243 62.300 -0.367 0.000 1.048 181 V CB -0.556 30.849 31.823 -0.696 0.000 0.666 181 V HN 0.457 nan 8.190 nan 0.000 0.456 182 T N 0.999 115.442 114.554 -0.185 0.000 2.643 182 T HA -0.082 4.284 4.350 0.026 0.000 0.264 182 T C 0.106 174.766 174.700 -0.067 0.000 1.045 182 T CA 2.027 64.060 62.100 -0.111 0.000 1.155 182 T CB -1.242 67.565 68.868 -0.101 0.000 0.863 182 T HN 0.492 nan 8.240 nan 0.000 0.420 183 P HA -0.076 nan 4.420 nan 0.000 0.219 183 P C 1.459 178.749 177.300 -0.017 0.000 1.150 183 P CA 1.156 64.243 63.100 -0.023 0.000 0.814 183 P CB -0.022 31.674 31.700 -0.007 0.000 0.787 184 R N 0.006 120.490 120.500 -0.027 0.000 2.073 184 R HA -0.042 4.314 4.340 0.026 0.000 0.234 184 R C 2.432 178.722 176.300 -0.018 0.000 1.134 184 R CA 1.782 57.875 56.100 -0.010 0.000 0.952 184 R CB -0.717 29.580 30.300 -0.004 0.000 0.850 184 R HN 0.068 nan 8.270 nan 0.000 0.433 185 M N 0.125 119.708 119.600 -0.027 0.000 2.229 185 M HA -0.056 4.440 4.480 0.026 0.000 0.264 185 M C 2.428 178.713 176.300 -0.025 0.000 1.063 185 M CA 1.443 56.731 55.300 -0.021 0.000 1.114 185 M CB -0.174 32.415 32.600 -0.020 0.000 1.387 185 M HN 0.398 nan 8.290 nan 0.000 0.420 186 A N 0.276 123.082 122.820 -0.024 0.000 1.865 186 A HA -0.222 4.114 4.320 0.026 0.000 0.217 186 A C 1.957 179.527 177.584 -0.022 0.000 1.191 186 A CA 2.173 54.199 52.037 -0.018 0.000 0.623 186 A CB -0.672 18.321 19.000 -0.011 0.000 0.826 186 A HN 0.409 nan 8.150 nan 0.000 0.444 187 E N -0.270 119.916 120.200 -0.023 0.000 2.106 187 E HA -0.076 4.290 4.350 0.026 0.000 0.192 187 E C 1.859 178.416 176.600 -0.072 0.000 0.984 187 E CA 1.252 57.632 56.400 -0.033 0.000 0.806 187 E CB -0.403 29.287 29.700 -0.017 0.000 0.750 187 E HN 0.238 nan 8.360 nan 0.000 0.458 188 V N 0.824 120.693 119.914 -0.076 0.000 2.295 188 V HA -0.286 3.850 4.120 0.026 0.000 0.246 188 V C 2.379 178.416 176.094 -0.095 0.000 1.049 188 V CA 1.947 64.180 62.300 -0.112 0.000 1.024 188 V CB -1.029 30.748 31.823 -0.077 0.000 0.648 188 V HN 0.439 nan 8.190 nan 0.000 0.447 189 A N 0.452 123.238 122.820 -0.058 0.000 1.908 189 A HA -0.205 4.131 4.320 0.026 0.000 0.218 189 A C 2.406 179.964 177.584 -0.044 0.000 1.181 189 A CA 2.444 54.455 52.037 -0.044 0.000 0.627 189 A CB -0.601 18.384 19.000 -0.026 0.000 0.818 189 A HN 0.709 nan 8.150 nan 0.000 0.445 190 S N -0.478 115.197 115.700 -0.042 0.000 2.535 190 S HA 0.099 4.585 4.470 0.026 0.000 0.214 190 S C 0.842 175.422 174.600 -0.032 0.000 0.980 190 S CA -0.087 58.096 58.200 -0.028 0.000 0.907 190 S CB -0.313 62.879 63.200 -0.014 0.000 0.790 190 S HN 0.724 nan 8.310 nan 0.000 0.510 191 R N 1.216 121.677 120.500 -0.065 0.000 2.490 191 R HA 0.368 4.724 4.340 0.026 0.000 0.280 191 R C -0.996 175.279 176.300 -0.041 0.000 1.077 191 R CA -0.416 55.644 56.100 -0.068 0.000 1.065 191 R CB -0.011 30.187 30.300 -0.170 0.000 1.003 191 R HN 0.052 nan 8.270 nan 0.000 0.470 192 D N 3.280 123.686 120.400 0.010 0.000 2.358 192 D HA 0.098 4.754 4.640 0.026 0.000 0.258 192 D C -1.616 174.723 176.300 0.066 0.000 1.223 192 D CA -1.807 52.214 54.000 0.034 0.000 0.886 192 D CB 1.391 42.221 40.800 0.049 0.000 1.120 192 D HN 0.354 nan 8.370 nan 0.000 0.482 193 P HA -0.161 nan 4.420 nan 0.000 0.215 193 P C 0.889 178.246 177.300 0.096 0.000 1.157 193 P CA 1.333 64.481 63.100 0.080 0.000 0.868 193 P CB 0.235 31.956 31.700 0.035 0.000 0.788 194 K N -0.670 119.759 120.400 0.048 0.000 2.025 194 K HA -0.047 4.289 4.320 0.026 0.000 0.207 194 K C 2.098 178.708 176.600 0.017 0.000 1.049 194 K CA 1.159 57.453 56.287 0.011 0.000 0.933 194 K CB -0.700 31.796 32.500 -0.007 0.000 0.714 194 K HN 0.128 nan 8.250 nan 0.000 0.438 195 L N -0.190 121.068 121.223 0.058 0.000 2.156 195 L HA -0.161 4.195 4.340 0.026 0.000 0.208 195 L C 2.391 179.341 176.870 0.134 0.000 1.095 195 L CA 0.752 55.638 54.840 0.076 0.000 0.770 195 L CB -0.327 41.785 42.059 0.088 0.000 0.914 195 L HN 0.198 nan 8.230 nan 0.000 0.439 196 Y N 0.846 121.167 120.300 0.035 0.000 2.181 196 Y HA -0.251 4.315 4.550 0.026 0.000 0.288 196 Y C 2.449 178.390 175.900 0.069 0.000 1.146 196 Y CA 1.206 59.338 58.100 0.053 0.000 1.164 196 Y CB -0.248 38.229 38.460 0.029 0.000 0.982 196 Y HN 0.099 nan 8.280 nan 0.000 0.515 197 A N -0.302 122.518 122.820 -0.000 0.000 1.969 197 A HA -0.132 4.204 4.320 0.026 0.000 0.218 197 A C 2.187 179.743 177.584 -0.048 0.000 1.169 197 A CA 1.847 53.828 52.037 -0.093 0.000 0.635 197 A CB -0.580 18.383 19.000 -0.061 0.000 0.810 197 A HN 0.566 nan 8.150 nan 0.000 0.445 198 M N -0.548 118.994 119.600 -0.097 0.000 2.465 198 M HA 0.056 4.551 4.480 0.026 0.000 0.249 198 M C 0.161 176.311 176.300 -0.251 0.000 1.130 198 M CA 0.264 55.377 55.300 -0.311 0.000 1.067 198 M CB 0.040 32.374 32.600 -0.443 0.000 1.394 198 M HN 0.742 nan 8.290 nan 0.000 0.483 199 H N -0.270 118.789 119.070 -0.019 0.000 2.207 199 H HA -0.089 4.483 4.556 0.026 0.000 0.325 199 H C -2.542 172.886 175.328 0.165 0.000 0.959 199 H CA -0.240 55.834 56.048 0.044 0.000 1.085 199 H CB -2.290 27.452 29.762 -0.034 0.000 1.582 199 H HN 0.197 nan 8.280 nan 0.000 0.361 200 P HA -0.085 nan 4.420 nan 0.000 0.264 200 P C 0.189 177.688 177.300 0.332 0.000 1.183 200 P CA 0.247 63.505 63.100 0.263 0.000 0.763 200 P CB 0.481 32.365 31.700 0.308 0.000 0.807 201 W N 5.627 127.036 121.300 0.182 0.000 2.294 201 W HA 0.498 5.173 4.660 0.026 0.000 0.314 201 W C -1.698 174.869 176.519 0.079 0.000 1.044 201 W CA -0.826 56.601 57.345 0.137 0.000 1.284 201 W CB 0.595 30.157 29.460 0.171 0.000 1.231 201 W HN 0.100 nan 8.180 nan 0.000 0.419 202 V N 4.821 124.862 119.914 0.212 0.000 3.114 202 V HA 0.726 4.862 4.120 0.026 0.000 0.308 202 V C -0.704 175.364 176.094 -0.044 0.000 1.168 202 V CA -0.637 61.587 62.300 -0.128 0.000 1.015 202 V CB 2.574 34.238 31.823 -0.264 0.000 1.050 202 V HN 0.407 nan 8.190 nan 0.000 0.433 203 T N 0.605 115.092 114.554 -0.110 0.000 2.894 203 T HA 0.402 4.768 4.350 0.026 0.000 0.309 203 T C 0.285 174.957 174.700 -0.046 0.000 1.208 203 T CA 0.125 62.205 62.100 -0.034 0.000 1.016 203 T CB 1.939 70.797 68.868 -0.016 0.000 1.192 203 T HN 0.595 nan 8.240 nan 0.000 0.491 204 S N 1.671 117.367 115.700 -0.006 0.000 2.535 204 S HA 0.213 4.698 4.470 0.026 0.000 0.214 204 S C 0.598 175.204 174.600 0.009 0.000 0.980 204 S CA -0.221 57.977 58.200 -0.003 0.000 0.907 204 S CB 0.028 63.234 63.200 0.011 0.000 0.790 204 S HN 0.579 nan 8.310 nan 0.000 0.510 205 K N 2.917 123.326 120.400 0.015 0.000 2.440 205 K HA 0.115 4.451 4.320 0.026 0.000 0.270 205 K C -2.577 174.030 176.600 0.011 0.000 0.980 205 K CA -1.071 55.227 56.287 0.018 0.000 0.953 205 K CB -0.259 32.254 32.500 0.022 0.000 0.925 205 K HN 0.096 nan 8.250 nan 0.000 0.497 206 P HA -0.021 nan 4.420 nan 0.000 0.271 206 P C -0.224 177.085 177.300 0.015 0.000 1.218 206 P CA -0.233 62.899 63.100 0.054 0.000 0.780 206 P CB 0.544 32.289 31.700 0.075 0.000 0.901 207 L N 4.463 125.692 121.223 0.011 0.000 2.534 207 L HA 0.101 4.456 4.340 0.026 0.000 0.271 207 L C -1.887 174.902 176.870 -0.134 0.000 1.178 207 L CA -1.344 53.387 54.840 -0.182 0.000 0.907 207 L CB 0.181 41.923 42.059 -0.527 0.000 1.164 207 L HN 0.244 nan 8.230 nan 0.000 0.482 208 P HA -0.021 nan 4.420 nan 0.000 0.266 208 P C 0.539 177.661 177.300 -0.296 0.000 1.193 208 P CA 0.031 62.875 63.100 -0.426 0.000 0.770 208 P CB 0.574 31.627 31.700 -1.078 0.000 0.836 209 E N 1.248 121.366 120.200 -0.137 0.000 2.136 209 E HA -0.281 4.085 4.350 0.026 0.000 0.202 209 E C 1.519 178.134 176.600 0.025 0.000 1.019 209 E CA 1.775 58.193 56.400 0.029 0.000 0.819 209 E CB -0.413 29.314 29.700 0.045 0.000 0.739 209 E HN 0.649 nan 8.360 nan 0.000 0.458 210 Y N -1.261 119.080 120.300 0.069 0.000 2.457 210 Y HA 0.057 4.623 4.550 0.026 0.000 0.292 210 Y C 1.765 177.662 175.900 -0.005 0.000 1.125 210 Y CA 0.392 58.503 58.100 0.019 0.000 1.254 210 Y CB -0.470 37.973 38.460 -0.027 0.000 1.012 210 Y HN -0.042 nan 8.280 nan 0.000 0.555 211 L N -1.680 119.476 121.223 -0.112 0.000 2.209 211 L HA -0.035 4.321 4.340 0.026 0.000 0.207 211 L C 2.038 178.834 176.870 -0.123 0.000 1.094 211 L CA 0.763 55.535 54.840 -0.113 0.000 0.790 211 L CB -0.497 41.410 42.059 -0.252 0.000 0.932 211 L HN 0.290 nan 8.230 nan 0.000 0.447 212 W N 0.998 122.248 121.300 -0.083 0.000 2.335 212 W HA -0.230 4.446 4.660 0.026 0.000 0.311 212 W C 2.749 179.257 176.519 -0.018 0.000 1.213 212 W CA 1.150 58.466 57.345 -0.048 0.000 1.274 212 W CB -0.079 29.348 29.460 -0.056 0.000 1.148 212 W HN 0.007 nan 8.180 nan 0.000 0.498 213 K N 1.002 121.543 120.400 0.234 0.000 2.144 213 K HA -0.279 4.057 4.320 0.026 0.000 0.209 213 K C 1.817 178.481 176.600 0.106 0.000 1.047 213 K CA 1.522 57.896 56.287 0.145 0.000 0.927 213 K CB -0.410 32.160 32.500 0.117 0.000 0.716 213 K HN 0.019 nan 8.250 nan 0.000 0.454 214 K N 0.823 121.269 120.400 0.077 0.000 2.439 214 K HA 0.019 4.355 4.320 0.026 0.000 0.197 214 K C 0.373 177.002 176.600 0.048 0.000 1.041 214 K CA 0.355 56.666 56.287 0.041 0.000 0.970 214 K CB 0.018 32.520 32.500 0.003 0.000 0.773 214 K HN 0.232 nan 8.250 nan 0.000 0.479 215 I N 1.135 121.751 120.570 0.078 0.000 2.316 215 I HA 0.107 4.293 4.170 0.026 0.000 0.286 215 I C 0.856 177.069 176.117 0.160 0.000 1.107 215 I CA -0.290 61.078 61.300 0.113 0.000 1.219 215 I CB 1.369 39.431 38.000 0.102 0.000 1.455 215 I HN -0.155 nan 8.210 nan 0.000 0.498 216 A N 5.092 127.986 122.820 0.122 0.000 2.252 216 A HA -0.003 4.333 4.320 0.026 0.000 0.207 216 A C 1.289 178.931 177.584 0.097 0.000 1.194 216 A CA 0.682 52.782 52.037 0.105 0.000 0.809 216 A CB -0.516 18.533 19.000 0.081 0.000 0.814 216 A HN 0.839 nan 8.150 nan 0.000 0.482 217 N N -2.159 116.607 118.700 0.110 0.000 1.938 217 N HA -0.050 4.705 4.740 0.026 0.000 0.225 217 N C 0.025 175.583 175.510 0.079 0.000 1.400 217 N CA 0.309 53.410 53.050 0.086 0.000 0.772 217 N CB -0.506 38.036 38.487 0.093 0.000 1.124 217 N HN 0.344 nan 8.380 nan 0.000 0.513 218 N N 0.520 119.294 118.700 0.123 0.000 2.754 218 N HA -0.188 4.568 4.740 0.026 0.000 0.248 218 N C -1.120 174.423 175.510 0.055 0.000 1.093 218 N CA 0.895 54.026 53.050 0.135 0.000 0.699 218 N CB -1.437 37.108 38.487 0.097 0.000 1.016 218 N HN 0.617 nan 8.380 nan 0.000 0.552 219 C N 0.879 120.186 119.300 0.012 0.000 2.607 219 C HA 0.631 5.107 4.460 0.026 0.000 0.350 219 C C -0.128 174.767 174.990 -0.158 0.000 1.101 219 C CA -0.948 58.002 59.018 -0.114 0.000 1.282 219 C CB 0.661 28.280 27.740 -0.203 0.000 1.825 219 C HN 0.249 nan 8.230 nan 0.000 0.460 220 I N 4.610 125.080 120.570 -0.168 0.000 2.385 220 I HA 0.422 4.607 4.170 0.026 0.000 0.294 220 I C -0.380 175.602 176.117 -0.225 0.000 0.988 220 I CA -0.207 61.027 61.300 -0.110 0.000 1.265 220 I CB 1.219 39.180 38.000 -0.064 0.000 1.388 220 I HN 0.556 nan 8.210 nan 0.000 0.480 221 F N 6.189 126.131 119.950 -0.013 0.000 2.408 221 F HA 0.504 5.047 4.527 0.026 0.000 0.344 221 F C 0.166 175.945 175.800 -0.035 0.000 1.112 221 F CA -0.300 57.688 58.000 -0.019 0.000 1.096 221 F CB 1.070 40.061 39.000 -0.015 0.000 1.129 221 F HN 0.172 nan 8.300 nan 0.000 0.486 222 I N 4.168 124.799 120.570 0.101 0.000 2.497 222 I HA 0.231 4.417 4.170 0.026 0.000 0.284 222 I C -1.169 174.918 176.117 -0.051 0.000 1.060 222 I CA -0.680 60.623 61.300 0.006 0.000 1.071 222 I CB 1.710 39.692 38.000 -0.030 0.000 1.216 222 I HN 0.150 nan 8.210 nan 0.000 0.442 223 V N 7.266 127.087 119.914 -0.156 0.000 2.389 223 V HA 0.325 4.461 4.120 0.026 0.000 0.264 223 V C 0.545 176.534 176.094 -0.174 0.000 1.049 223 V CA -0.180 61.976 62.300 -0.240 0.000 0.932 223 V CB 0.722 32.245 31.823 -0.501 0.000 1.011 223 V HN 0.473 nan 8.190 nan 0.000 0.475 224 I N 4.794 125.241 120.570 -0.206 0.000 2.612 224 I HA 0.407 4.592 4.170 0.026 0.000 0.295 224 I C -0.093 175.889 176.117 -0.224 0.000 1.011 224 I CA -0.327 60.830 61.300 -0.237 0.000 1.326 224 I CB 0.944 38.571 38.000 -0.622 0.000 1.427 224 I HN 0.618 nan 8.210 nan 0.000 0.537 225 H N 3.386 122.346 119.070 -0.183 0.000 2.821 225 H HA 0.492 5.064 4.556 0.026 0.000 0.373 225 H C 0.119 175.385 175.328 -0.104 0.000 1.165 225 H CA -0.682 55.309 56.048 -0.096 0.000 1.154 225 H CB 1.849 31.580 29.762 -0.051 0.000 1.765 225 H HN 0.329 nan 8.280 nan 0.000 0.549 226 R N 0.836 121.366 120.500 0.050 0.000 1.966 226 R HA 0.206 4.562 4.340 0.026 0.000 0.191 226 R C -0.291 176.027 176.300 0.031 0.000 1.542 226 R CA 0.990 57.096 56.100 0.011 0.000 1.210 226 R CB -0.136 30.154 30.300 -0.017 0.000 1.039 226 R HN 0.650 nan 8.270 nan 0.000 0.476 227 S N 0.120 115.840 115.700 0.033 0.000 2.312 227 S HA 0.167 4.652 4.470 0.026 0.000 0.173 227 S C -0.192 174.435 174.600 0.044 0.000 1.488 227 S CA 0.257 58.478 58.200 0.035 0.000 1.239 227 S CB 0.296 63.507 63.200 0.018 0.000 1.215 227 S HN 0.507 nan 8.310 nan 0.000 0.438 228 T N -0.716 113.887 114.554 0.081 0.000 4.386 228 T HA -0.216 4.149 4.350 0.026 0.000 0.320 228 T C 0.199 174.926 174.700 0.046 0.000 0.916 228 T CA 1.497 63.650 62.100 0.087 0.000 2.028 228 T CB -2.902 65.999 68.868 0.056 0.000 1.935 228 T HN 1.028 nan 8.240 nan 0.000 0.894 229 T N 1.182 115.750 114.554 0.024 0.000 2.888 229 T HA 0.758 5.124 4.350 0.026 0.000 0.284 229 T C -0.100 174.544 174.700 -0.094 0.000 1.017 229 T CA -0.206 61.881 62.100 -0.022 0.000 1.022 229 T CB 2.048 70.907 68.868 -0.015 0.000 1.013 229 T HN 1.185 nan 8.240 nan 0.000 0.465 230 S N 1.465 117.078 115.700 -0.145 0.000 2.550 230 S HA 0.737 5.223 4.470 0.026 0.000 0.270 230 S C -1.665 172.852 174.600 -0.139 0.000 1.145 230 S CA -0.971 57.062 58.200 -0.278 0.000 0.852 230 S CB 2.351 65.193 63.200 -0.597 0.000 1.119 230 S HN 0.630 nan 8.310 nan 0.000 0.465 231 Q N 0.473 120.208 119.800 -0.109 0.000 2.345 231 Q HA 0.612 4.967 4.340 0.026 0.000 0.275 231 Q C -1.544 174.443 176.000 -0.021 0.000 1.063 231 Q CA -0.200 55.597 55.803 -0.010 0.000 0.819 231 Q CB 2.332 31.138 28.738 0.112 0.000 1.356 231 Q HN 0.808 nan 8.270 nan 0.000 0.418 232 T N 4.374 118.939 114.554 0.019 0.000 2.762 232 T HA 0.524 4.889 4.350 0.026 0.000 0.303 232 T C -0.239 174.530 174.700 0.115 0.000 0.977 232 T CA -0.212 61.928 62.100 0.066 0.000 0.961 232 T CB -0.304 68.628 68.868 0.107 0.000 0.944 232 T HN 0.423 nan 8.240 nan 0.000 0.481 233 I N 3.629 124.249 120.570 0.083 0.000 2.315 233 I HA 0.263 4.449 4.170 0.026 0.000 0.291 233 I C 0.645 176.745 176.117 -0.029 0.000 1.006 233 I CA -0.541 60.795 61.300 0.060 0.000 1.265 233 I CB 0.799 38.848 38.000 0.082 0.000 1.387 233 I HN 0.314 nan 8.210 nan 0.000 0.475 234 K N 4.780 125.117 120.400 -0.104 0.000 2.270 234 K HA 0.644 4.980 4.320 0.026 0.000 0.276 234 K C -0.782 175.695 176.600 -0.204 0.000 1.023 234 K CA -0.488 55.597 56.287 -0.336 0.000 0.955 234 K CB 1.557 33.872 32.500 -0.309 0.000 0.975 234 K HN 0.333 nan 8.250 nan 0.000 0.471 235 V N 1.078 120.847 119.914 -0.242 0.000 3.077 235 V HA 0.147 4.283 4.120 0.026 0.000 0.299 235 V C -0.874 175.159 176.094 -0.103 0.000 1.276 235 V CA -0.716 61.511 62.300 -0.121 0.000 0.993 235 V CB 2.425 34.200 31.823 -0.080 0.000 1.076 235 V HN 0.955 nan 8.190 nan 0.000 0.434 236 S N 5.070 120.745 115.700 -0.042 0.000 2.616 236 S HA 0.538 5.024 4.470 0.026 0.000 0.277 236 S C -1.926 172.684 174.600 0.018 0.000 1.234 236 S CA -1.099 57.099 58.200 -0.004 0.000 1.028 236 S CB 1.764 64.977 63.200 0.021 0.000 0.988 236 S HN 0.579 nan 8.310 nan 0.000 0.522 237 P HA 0.057 nan 4.420 nan 0.000 0.226 237 P C 0.112 177.449 177.300 0.062 0.000 1.153 237 P CA 0.829 63.943 63.100 0.023 0.000 0.777 237 P CB 0.037 31.741 31.700 0.006 0.000 0.794 238 D N -1.124 119.329 120.400 0.090 0.000 2.349 238 D HA 0.030 4.686 4.640 0.026 0.000 0.214 238 D C -0.188 176.153 176.300 0.069 0.000 1.063 238 D CA 0.294 54.345 54.000 0.086 0.000 0.847 238 D CB -0.049 40.805 40.800 0.090 0.000 0.933 238 D HN 0.172 nan 8.370 nan 0.000 0.513 239 D N 1.555 121.990 120.400 0.059 0.000 2.383 239 D HA 0.064 4.720 4.640 0.026 0.000 0.252 239 D C 0.483 176.829 176.300 0.077 0.000 1.166 239 D CA 0.477 54.510 54.000 0.054 0.000 0.879 239 D CB 0.928 41.748 40.800 0.034 0.000 1.164 239 D HN -0.200 nan 8.370 nan 0.000 0.462 240 T N 3.397 118.000 114.554 0.081 0.000 2.856 240 T HA 0.098 4.463 4.350 0.026 0.000 0.306 240 T C -1.320 173.431 174.700 0.086 0.000 1.062 240 T CA -1.093 61.071 62.100 0.108 0.000 1.083 240 T CB 0.858 69.779 68.868 0.088 0.000 0.984 240 T HN 0.219 nan 8.240 nan 0.000 0.542 241 P HA -0.031 nan 4.420 nan 0.000 0.218 241 P C 1.665 178.989 177.300 0.041 0.000 1.149 241 P CA 0.763 63.880 63.100 0.029 0.000 0.817 241 P CB -0.124 31.572 31.700 -0.006 0.000 0.785 242 G N 0.358 109.190 108.800 0.053 0.000 2.440 242 G HA2 -0.272 3.703 3.960 0.026 0.000 0.218 242 G HA3 -0.272 3.703 3.960 0.026 0.000 0.218 242 G C 1.603 176.524 174.900 0.036 0.000 1.154 242 G CA 0.966 46.088 45.100 0.037 0.000 0.767 242 G HN 0.353 nan 8.290 nan 0.000 0.552 243 A N 0.095 122.942 122.820 0.044 0.000 2.067 243 A HA 0.299 4.634 4.320 0.026 0.000 0.217 243 A C 2.298 179.916 177.584 0.056 0.000 1.156 243 A CA 0.529 52.592 52.037 0.044 0.000 0.683 243 A CB -0.157 18.868 19.000 0.041 0.000 0.808 243 A HN 0.382 nan 8.150 nan 0.000 0.455 244 I N -0.628 119.977 120.570 0.058 0.000 2.353 244 I HA -0.181 4.005 4.170 0.026 0.000 0.248 244 I C 2.103 178.300 176.117 0.134 0.000 1.119 244 I CA 0.922 62.264 61.300 0.069 0.000 1.417 244 I CB -0.193 37.825 38.000 0.031 0.000 1.078 244 I HN 0.277 nan 8.210 nan 0.000 0.421 245 L N 0.041 121.344 121.223 0.133 0.000 2.217 245 L HA -0.152 4.204 4.340 0.026 0.000 0.211 245 L C 2.615 179.618 176.870 0.221 0.000 1.107 245 L CA 0.720 55.696 54.840 0.227 0.000 0.783 245 L CB -0.416 41.719 42.059 0.126 0.000 0.919 245 L HN 0.259 nan 8.230 nan 0.000 0.442 246 Q N -0.492 119.372 119.800 0.107 0.000 2.167 246 Q HA -0.146 4.209 4.340 0.026 0.000 0.202 246 Q C 2.476 178.555 176.000 0.132 0.000 0.970 246 Q CA 1.776 57.629 55.803 0.082 0.000 0.855 246 Q CB -0.322 28.439 28.738 0.039 0.000 0.911 246 Q HN 0.573 nan 8.270 nan 0.000 0.438 247 S N -0.562 115.225 115.700 0.144 0.000 2.470 247 S HA -0.034 4.452 4.470 0.026 0.000 0.225 247 S C 1.696 176.400 174.600 0.173 0.000 1.006 247 S CA -0.010 58.264 58.200 0.124 0.000 0.934 247 S CB -0.213 63.042 63.200 0.091 0.000 0.778 247 S HN 0.298 nan 8.310 nan 0.000 0.517 248 F N 1.671 121.688 119.950 0.113 0.000 2.118 248 F HA 0.238 4.781 4.527 0.026 0.000 0.293 248 F C 1.620 177.491 175.800 0.118 0.000 1.102 248 F CA 0.594 58.654 58.000 0.100 0.000 1.247 248 F CB -0.707 38.364 39.000 0.120 0.000 1.017 248 F HN 0.185 nan 8.300 nan 0.000 0.475 249 F N 1.175 121.021 119.950 -0.174 0.000 2.161 249 F HA -0.195 4.348 4.527 0.026 0.000 0.300 249 F C 2.581 178.248 175.800 -0.223 0.000 1.089 249 F CA 2.071 59.910 58.000 -0.268 0.000 1.282 249 F CB -1.291 37.683 39.000 -0.043 0.000 1.010 249 F HN -0.035 nan 8.300 nan 0.000 0.485 250 T N -0.738 113.849 114.554 0.056 0.000 2.777 250 T HA -0.218 4.148 4.350 0.026 0.000 0.266 250 T C 1.935 176.593 174.700 -0.070 0.000 1.040 250 T CA 1.532 63.635 62.100 0.004 0.000 1.141 250 T CB -0.243 68.643 68.868 0.030 0.000 0.868 250 T HN 0.089 nan 8.240 nan 0.000 0.444 251 K N 0.573 120.915 120.400 -0.097 0.000 2.020 251 K HA -0.127 4.209 4.320 0.026 0.000 0.212 251 K C 2.083 178.561 176.600 -0.204 0.000 1.050 251 K CA 1.396 57.609 56.287 -0.122 0.000 0.929 251 K CB -0.161 32.287 32.500 -0.087 0.000 0.714 251 K HN 0.122 nan 8.250 nan 0.000 0.443 252 M N 0.813 120.180 119.600 -0.388 0.000 2.294 252 M HA 0.079 4.574 4.480 0.026 0.000 0.257 252 M C 1.141 177.284 176.300 -0.262 0.000 1.151 252 M CA 1.216 56.271 55.300 -0.410 0.000 1.088 252 M CB -1.458 30.705 32.600 -0.727 0.000 1.168 252 M HN 0.203 nan 8.290 nan 0.000 0.463 253 A N 0.910 123.568 122.820 -0.270 0.000 2.386 253 A HA 0.430 4.766 4.320 0.026 0.000 0.248 253 A C 0.029 177.565 177.584 -0.080 0.000 1.082 253 A CA 0.098 52.046 52.037 -0.148 0.000 0.789 253 A CB 0.323 19.248 19.000 -0.124 0.000 1.025 253 A HN 0.523 nan 8.150 nan 0.000 0.490 269 D N 1.381 121.512 120.400 -0.449 0.000 2.340 269 D HA 0.676 5.331 4.640 0.026 0.000 0.240 269 D C -0.679 175.283 176.300 -0.563 0.000 1.001 269 D CA -0.253 53.523 54.000 -0.372 0.000 0.888 269 D CB 1.397 42.097 40.800 -0.166 0.000 1.310 269 D HN 0.226 nan 8.370 nan 0.000 0.474 270 F N -0.222 119.763 119.950 0.059 0.000 2.679 270 F HA 0.631 5.174 4.527 0.026 0.000 0.341 270 F C -0.062 175.777 175.800 0.064 0.000 1.095 270 F CA -1.065 56.991 58.000 0.093 0.000 1.004 270 F CB 1.586 40.697 39.000 0.186 0.000 1.388 270 F HN -0.013 nan 8.300 nan 0.000 0.505 271 V N 1.590 121.677 119.914 0.289 0.000 3.049 271 V HA 0.553 4.689 4.120 0.026 0.000 0.309 271 V C -1.556 174.632 176.094 0.157 0.000 1.148 271 V CA -0.961 61.448 62.300 0.180 0.000 0.990 271 V CB 2.408 34.311 31.823 0.133 0.000 1.039 271 V HN 0.598 nan 8.190 nan 0.000 0.430 272 L N 5.692 126.962 121.223 0.079 0.000 2.282 272 L HA 0.584 4.940 4.340 0.026 0.000 0.287 272 L C 0.338 177.184 176.870 -0.040 0.000 1.075 272 L CA -0.062 54.770 54.840 -0.014 0.000 0.839 272 L CB 0.625 42.636 42.059 -0.081 0.000 1.219 272 L HN 0.593 nan 8.230 nan 0.000 0.434 273 R N 2.975 123.415 120.500 -0.100 0.000 2.312 273 R HA 0.476 4.832 4.340 0.026 0.000 0.311 273 R C -0.662 175.417 176.300 -0.367 0.000 1.004 273 R CA -0.691 55.192 56.100 -0.361 0.000 0.902 273 R CB 1.498 31.498 30.300 -0.501 0.000 1.073 273 R HN 0.321 nan 8.270 nan 0.000 0.457 274 V N 4.611 124.237 119.914 -0.480 0.000 2.694 274 V HA -0.087 4.049 4.120 0.026 0.000 0.306 274 V C 0.393 176.228 176.094 -0.432 0.000 1.054 274 V CA -0.146 61.844 62.300 -0.516 0.000 1.161 274 V CB 0.445 31.694 31.823 -0.958 0.000 0.916 274 V HN 0.874 nan 8.190 nan 0.000 0.490 275 C N 5.024 124.142 119.300 -0.303 0.000 2.633 275 C HA 0.443 4.918 4.460 0.026 0.000 0.415 275 C C 1.516 176.353 174.990 -0.255 0.000 1.393 275 C CA 0.671 59.535 59.018 -0.257 0.000 1.700 275 C CB -0.978 26.633 27.740 -0.215 0.000 2.541 275 C HN 1.374 nan 8.230 nan 0.000 0.603 276 G N 3.728 112.389 108.800 -0.232 0.000 2.136 276 G HA2 -0.192 3.783 3.960 0.026 0.000 0.242 276 G HA3 -0.192 3.783 3.960 0.026 0.000 0.242 276 G C -0.122 174.641 174.900 -0.228 0.000 0.989 276 G CA 0.077 45.061 45.100 -0.193 0.000 0.682 276 G HN 0.798 nan 8.290 nan 0.000 0.522 277 R N -0.969 119.351 120.500 -0.299 0.000 2.710 277 R HA 0.385 4.741 4.340 0.026 0.000 0.270 277 R C -1.723 174.373 176.300 -0.340 0.000 1.021 277 R CA -0.966 54.943 56.100 -0.317 0.000 0.889 277 R CB 1.030 31.074 30.300 -0.427 0.000 1.243 277 R HN 0.067 nan 8.270 nan 0.000 0.464 278 D N 1.569 121.818 120.400 -0.252 0.000 2.619 278 D HA 0.121 4.776 4.640 0.026 0.000 0.224 278 D C -1.038 175.135 176.300 -0.210 0.000 1.133 278 D CA 0.276 54.153 54.000 -0.206 0.000 1.017 278 D CB 0.327 41.102 40.800 -0.042 0.000 1.077 278 D HN 0.278 nan 8.370 nan 0.000 0.503 279 E N 1.614 121.495 120.200 -0.530 0.000 2.291 279 E HA 0.307 4.673 4.350 0.026 0.000 0.276 279 E C -1.817 174.429 176.600 -0.590 0.000 0.896 279 E CA -0.653 55.500 56.400 -0.412 0.000 0.774 279 E CB 0.631 30.139 29.700 -0.319 0.000 1.227 279 E HN 0.168 nan 8.360 nan 0.000 0.413 280 Y N 2.929 123.099 120.300 -0.216 0.000 2.446 280 Y HA 0.489 5.055 4.550 0.026 0.000 0.345 280 Y C -0.633 175.174 175.900 -0.154 0.000 0.984 280 Y CA -1.198 56.795 58.100 -0.178 0.000 1.058 280 Y CB 1.348 39.713 38.460 -0.158 0.000 1.220 280 Y HN 0.343 nan 8.280 nan 0.000 0.455 281 L N 5.066 126.211 121.223 -0.130 0.000 2.314 281 L HA 0.545 4.901 4.340 0.026 0.000 0.275 281 L C -0.496 176.221 176.870 -0.255 0.000 1.068 281 L CA -0.674 53.840 54.840 -0.543 0.000 0.894 281 L CB -0.107 41.565 42.059 -0.646 0.000 1.275 281 L HN 0.460 nan 8.230 nan 0.000 0.432 282 V N -0.329 119.622 119.914 0.062 0.000 3.188 282 V HA 1.053 5.188 4.120 0.026 0.000 0.305 282 V C 0.202 176.515 176.094 0.365 0.000 1.232 282 V CA -0.620 61.794 62.300 0.190 0.000 1.043 282 V CB 1.262 33.152 31.823 0.112 0.000 1.068 282 V HN 0.852 nan 8.190 nan 0.000 0.439 283 G N 1.075 110.007 108.800 0.219 0.000 2.661 283 G HA2 0.015 3.991 3.960 0.026 0.000 0.685 283 G HA3 0.015 3.991 3.960 0.026 0.000 0.685 283 G C -0.664 174.335 174.900 0.166 0.000 1.298 283 G CA -0.333 44.866 45.100 0.166 0.000 0.855 283 G HN 0.962 nan 8.290 nan 0.000 0.560 284 E N 1.178 121.436 120.200 0.096 0.000 2.110 284 E HA 0.373 4.738 4.350 0.026 0.000 0.300 284 E C 0.211 176.843 176.600 0.053 0.000 1.278 284 E CA 0.343 56.789 56.400 0.076 0.000 1.365 284 E CB 0.007 29.736 29.700 0.049 0.000 1.283 284 E HN 0.541 nan 8.360 nan 0.000 0.490 285 T N 1.538 116.141 114.554 0.082 0.000 2.893 285 T HA 0.396 4.762 4.350 0.026 0.000 0.293 285 T C -2.613 172.170 174.700 0.138 0.000 1.027 285 T CA -1.804 60.294 62.100 -0.003 0.000 0.988 285 T CB 2.143 70.817 68.868 -0.323 0.000 1.043 285 T HN -0.018 nan 8.240 nan 0.000 0.461 286 P HA 0.106 nan 4.420 nan 0.000 0.267 286 P C 0.946 178.403 177.300 0.261 0.000 1.200 286 P CA -0.448 62.735 63.100 0.138 0.000 0.772 286 P CB 0.228 31.975 31.700 0.079 0.000 0.855 287 I N 2.643 123.368 120.570 0.259 0.000 2.335 287 I HA -0.271 3.915 4.170 0.026 0.000 0.251 287 I C 1.943 178.202 176.117 0.238 0.000 1.129 287 I CA 1.564 63.050 61.300 0.310 0.000 1.402 287 I CB -1.760 36.284 38.000 0.073 0.000 1.069 287 I HN 0.387 nan 8.210 nan 0.000 0.424 288 K N 0.768 121.212 120.400 0.073 0.000 2.280 288 K HA -0.124 4.211 4.320 0.026 0.000 0.202 288 K C 1.047 177.617 176.600 -0.050 0.000 1.047 288 K CA 1.715 57.967 56.287 -0.059 0.000 0.942 288 K CB -0.560 31.834 32.500 -0.178 0.000 0.739 288 K HN 0.286 nan 8.250 nan 0.000 0.457 289 N N -0.053 118.646 118.700 -0.002 0.000 2.322 289 N HA 0.147 4.903 4.740 0.026 0.000 0.194 289 N C -0.986 174.423 175.510 -0.169 0.000 1.126 289 N CA 0.075 53.071 53.050 -0.089 0.000 0.845 289 N CB 0.070 38.488 38.487 -0.115 0.000 0.976 289 N HN 0.077 nan 8.380 nan 0.000 0.475 290 F N 0.677 120.599 119.950 -0.048 0.000 2.385 290 F HA 0.249 4.792 4.527 0.027 0.000 0.336 290 F C 1.801 177.524 175.800 -0.127 0.000 1.100 290 F CA -0.535 57.441 58.000 -0.040 0.000 1.116 290 F CB 1.271 40.288 39.000 0.029 0.000 1.166 290 F HN -0.097 nan 8.300 nan 0.000 0.511 291 Q N 2.552 122.300 119.800 -0.086 0.000 2.123 291 Q HA -0.208 4.148 4.340 0.026 0.000 0.199 291 Q C 2.204 178.069 176.000 -0.225 0.000 0.966 291 Q CA 1.121 56.674 55.803 -0.416 0.000 0.845 291 Q CB -0.329 27.629 28.738 -1.300 0.000 0.907 291 Q HN 0.872 nan 8.270 nan 0.000 0.439 292 W N 1.204 122.411 121.300 -0.154 0.000 2.342 292 W HA -0.197 4.479 4.660 0.026 0.000 0.297 292 W C 1.612 178.141 176.519 0.017 0.000 1.213 292 W CA 1.280 58.606 57.345 -0.031 0.000 1.251 292 W CB 0.139 29.606 29.460 0.012 0.000 1.136 292 W HN -0.070 nan 8.180 nan 0.000 0.526 293 V N 1.249 121.188 119.914 0.043 0.000 2.453 293 V HA -0.240 3.896 4.120 0.026 0.000 0.247 293 V C 2.451 178.453 176.094 -0.153 0.000 1.048 293 V CA 1.825 64.098 62.300 -0.044 0.000 1.049 293 V CB -0.734 31.120 31.823 0.053 0.000 0.672 293 V HN 0.121 nan 8.190 nan 0.000 0.457 294 R N -0.503 119.907 120.500 -0.151 0.000 2.115 294 R HA -0.150 4.206 4.340 0.026 0.000 0.226 294 R C 2.283 178.465 176.300 -0.197 0.000 1.100 294 R CA 1.500 57.496 56.100 -0.173 0.000 0.980 294 R CB -0.448 29.758 30.300 -0.157 0.000 0.875 294 R HN 0.673 nan 8.270 nan 0.000 0.445 295 H N -0.157 118.691 119.070 -0.370 0.000 2.423 295 H HA -0.048 4.523 4.556 0.026 0.000 0.297 295 H C 1.681 176.746 175.328 -0.439 0.000 1.075 295 H CA 1.494 57.286 56.048 -0.426 0.000 1.342 295 H CB -0.049 29.361 29.762 -0.587 0.000 1.395 295 H HN 0.113 nan 8.280 nan 0.000 0.530 296 C N -0.149 118.791 119.300 -0.601 0.000 2.467 296 C HA 0.079 4.555 4.460 0.026 0.000 0.279 296 C C 2.759 177.576 174.990 -0.289 0.000 1.347 296 C CA 0.342 59.072 59.018 -0.480 0.000 1.748 296 C CB -0.848 26.690 27.740 -0.337 0.000 1.977 296 C HN 0.546 nan 8.230 nan 0.000 0.501 297 L N 1.077 122.162 121.223 -0.230 0.000 2.109 297 L HA -0.113 4.242 4.340 0.026 0.000 0.207 297 L C 2.612 179.397 176.870 -0.143 0.000 1.086 297 L CA 1.466 56.214 54.840 -0.154 0.000 0.760 297 L CB -0.610 41.362 42.059 -0.146 0.000 0.910 297 L HN 0.334 nan 8.230 nan 0.000 0.437 298 K N 0.161 120.459 120.400 -0.171 0.000 2.148 298 K HA -0.101 4.235 4.320 0.026 0.000 0.204 298 K C 1.533 178.031 176.600 -0.169 0.000 1.050 298 K CA 1.160 57.371 56.287 -0.128 0.000 0.942 298 K CB 0.097 32.532 32.500 -0.107 0.000 0.724 298 K HN 0.347 nan 8.250 nan 0.000 0.446 299 N N -0.318 118.227 118.700 -0.259 0.000 2.280 299 N HA 0.021 4.776 4.740 0.026 0.000 0.192 299 N C 0.183 175.593 175.510 -0.166 0.000 1.109 299 N CA 0.741 53.647 53.050 -0.241 0.000 0.855 299 N CB 1.022 39.275 38.487 -0.390 0.000 0.974 299 N HN 0.408 nan 8.380 nan 0.000 0.482 300 G N 1.766 110.481 108.800 -0.141 0.000 2.198 300 G HA2 -0.250 3.725 3.960 0.026 0.000 0.260 300 G HA3 -0.250 3.725 3.960 0.026 0.000 0.260 300 G C -0.208 174.648 174.900 -0.074 0.000 1.025 300 G CA 0.226 45.273 45.100 -0.088 0.000 0.769 300 G HN 0.370 nan 8.290 nan 0.000 0.507 301 E N -0.061 120.077 120.200 -0.104 0.000 2.222 301 E HA 0.408 4.774 4.350 0.026 0.000 0.267 301 E C -0.060 176.543 176.600 0.005 0.000 0.963 301 E CA -0.766 55.600 56.400 -0.056 0.000 0.837 301 E CB 1.304 30.944 29.700 -0.101 0.000 1.183 301 E HN 0.520 nan 8.360 nan 0.000 0.403 302 E N 1.481 121.744 120.200 0.105 0.000 2.259 302 E HA 0.199 4.565 4.350 0.026 0.000 0.281 302 E C -0.395 176.393 176.600 0.313 0.000 1.027 302 E CA -0.329 56.191 56.400 0.199 0.000 0.838 302 E CB 0.901 30.790 29.700 0.316 0.000 1.066 302 E HN 0.289 nan 8.360 nan 0.000 0.401 303 I N 4.056 124.750 120.570 0.206 0.000 2.471 303 I HA -0.018 4.168 4.170 0.026 0.000 0.294 303 I C -0.186 176.050 176.117 0.197 0.000 1.123 303 I CA 0.268 61.719 61.300 0.252 0.000 1.336 303 I CB -0.412 37.680 38.000 0.153 0.000 1.430 303 I HN 0.343 nan 8.210 nan 0.000 0.533 304 H N 4.747 123.932 119.070 0.191 0.000 2.552 304 H HA 0.596 5.168 4.556 0.026 0.000 0.311 304 H C -0.526 174.804 175.328 0.003 0.000 1.071 304 H CA -0.360 55.759 56.048 0.118 0.000 1.307 304 H CB 1.442 31.253 29.762 0.082 0.000 1.416 304 H HN 0.250 nan 8.280 nan 0.000 0.464 305 V N 4.302 124.238 119.914 0.037 0.000 2.876 305 V HA 0.409 4.545 4.120 0.026 0.000 0.312 305 V C -0.923 175.139 176.094 -0.053 0.000 1.085 305 V CA -0.788 61.469 62.300 -0.071 0.000 0.945 305 V CB 2.776 34.544 31.823 -0.091 0.000 1.017 305 V HN 0.528 nan 8.190 nan 0.000 0.428 306 V N 6.027 125.869 119.914 -0.119 0.000 2.815 306 V HA 0.658 4.794 4.120 0.026 0.000 0.314 306 V C -0.808 175.242 176.094 -0.073 0.000 1.064 306 V CA -0.667 61.582 62.300 -0.084 0.000 0.952 306 V CB 2.007 33.759 31.823 -0.117 0.000 1.020 306 V HN 0.778 nan 8.190 nan 0.000 0.439 307 L N 6.009 127.196 121.223 -0.060 0.000 2.264 307 L HA 0.642 4.998 4.340 0.026 0.000 0.289 307 L C -1.082 175.817 176.870 0.050 0.000 1.044 307 L CA 0.149 54.968 54.840 -0.035 0.000 0.807 307 L CB 0.989 42.964 42.059 -0.140 0.000 1.192 307 L HN 0.947 nan 8.230 nan 0.000 0.425 308 D N 0.770 121.280 120.400 0.182 0.000 2.622 308 D HA 0.209 4.865 4.640 0.026 0.000 0.255 308 D C -0.647 175.871 176.300 0.364 0.000 1.246 308 D CA -0.678 53.491 54.000 0.281 0.000 0.795 308 D CB 0.771 41.668 40.800 0.161 0.000 1.369 308 D HN 0.360 nan 8.370 nan 0.000 0.425 309 T N -1.474 113.266 114.554 0.310 0.000 2.923 309 T HA 0.280 4.646 4.350 0.026 0.000 0.304 309 T C -2.175 172.577 174.700 0.087 0.000 1.044 309 T CA -0.740 61.429 62.100 0.114 0.000 1.141 309 T CB -0.411 68.486 68.868 0.047 0.000 1.023 309 T HN 0.192 nan 8.240 nan 0.000 0.533 310 P HA 0.172 nan 4.420 nan 0.000 0.266 310 P C -2.079 175.191 177.300 -0.050 0.000 1.193 310 P CA -1.052 62.016 63.100 -0.054 0.000 0.770 310 P CB -0.504 31.142 31.700 -0.090 0.000 0.836 311 P HA 0.103 nan 4.420 nan 0.000 0.275 311 P C -0.540 176.730 177.300 -0.051 0.000 1.228 311 P CA -0.050 63.025 63.100 -0.043 0.000 0.786 311 P CB 0.488 32.163 31.700 -0.042 0.000 0.927 312 D N 2.871 123.255 120.400 -0.027 0.000 2.371 312 D HA 0.075 4.731 4.640 0.026 0.000 0.256 312 D C -1.468 174.822 176.300 -0.017 0.000 1.193 312 D CA -1.941 52.045 54.000 -0.024 0.000 0.881 312 D CB 0.488 41.277 40.800 -0.017 0.000 1.143 312 D HN 0.115 nan 8.370 nan 0.000 0.473 313 P HA -0.087 nan 4.420 nan 0.000 0.222 313 P C 0.958 178.269 177.300 0.018 0.000 1.147 313 P CA 1.016 64.125 63.100 0.015 0.000 0.790 313 P CB 0.145 31.855 31.700 0.016 0.000 0.780 314 A N 0.114 122.935 122.820 0.000 0.000 1.917 314 A HA -0.225 4.111 4.320 0.026 0.000 0.219 314 A C 2.133 179.715 177.584 -0.003 0.000 1.182 314 A CA 1.670 53.704 52.037 -0.005 0.000 0.633 314 A CB -1.765 17.227 19.000 -0.013 0.000 0.819 314 A HN 0.156 nan 8.150 nan 0.000 0.448 315 L N -0.322 120.899 121.223 -0.004 0.000 2.137 315 L HA -0.221 4.135 4.340 0.026 0.000 0.213 315 L C 0.874 177.748 176.870 0.007 0.000 1.085 315 L CA 1.392 56.229 54.840 -0.006 0.000 0.760 315 L CB -0.578 41.476 42.059 -0.009 0.000 0.893 315 L HN 0.342 nan 8.230 nan 0.000 0.434 316 D N 0.116 120.536 120.400 0.034 0.000 2.370 316 D HA -0.016 4.640 4.640 0.026 0.000 0.230 316 D C 0.614 176.951 176.300 0.062 0.000 1.143 316 D CA 0.100 54.151 54.000 0.084 0.000 0.834 316 D CB -0.064 40.856 40.800 0.201 0.000 0.944 316 D HN 0.459 nan 8.370 nan 0.000 0.504 317 E N 1.051 121.260 120.200 0.016 0.000 2.376 317 E HA 0.101 4.467 4.350 0.026 0.000 0.266 317 E C -0.581 176.004 176.600 -0.025 0.000 1.009 317 E CA -0.195 56.199 56.400 -0.010 0.000 0.902 317 E CB 0.944 30.629 29.700 -0.026 0.000 0.972 317 E HN -0.235 nan 8.360 nan 0.000 0.439 318 V N 5.640 125.534 119.914 -0.033 0.000 2.439 318 V HA 0.214 4.350 4.120 0.026 0.000 0.282 318 V C 0.673 176.726 176.094 -0.069 0.000 1.039 318 V CA -0.554 61.721 62.300 -0.041 0.000 0.913 318 V CB 1.206 33.011 31.823 -0.031 0.000 0.983 318 V HN 0.734 nan 8.190 nan 0.000 0.460 319 R N 5.083 125.508 120.500 -0.125 0.000 2.594 319 R HA 0.221 4.577 4.340 0.026 0.000 0.272 319 R C -0.101 176.136 176.300 -0.104 0.000 1.074 319 R CA -0.667 55.321 56.100 -0.186 0.000 1.105 319 R CB 0.621 30.667 30.300 -0.424 0.000 1.008 319 R HN 0.698 nan 8.270 nan 0.000 0.472 320 K N 3.813 124.164 120.400 -0.080 0.000 2.383 320 K HA 0.094 4.429 4.320 0.026 0.000 0.286 320 K C -0.709 175.897 176.600 0.011 0.000 1.051 320 K CA 0.124 56.400 56.287 -0.019 0.000 0.974 320 K CB 0.758 33.247 32.500 -0.019 0.000 0.968 320 K HN 0.588 nan 8.250 nan 0.000 0.475 321 E N 2.622 122.878 120.200 0.095 0.000 2.313 321 E HA 0.134 4.500 4.350 0.026 0.000 0.272 321 E C -0.749 175.938 176.600 0.146 0.000 1.038 321 E CA -0.424 56.078 56.400 0.170 0.000 0.863 321 E CB 0.988 30.927 29.700 0.399 0.000 1.060 321 E HN 0.477 nan 8.360 nan 0.000 0.402 322 E N 1.560 121.760 120.200 0.000 0.000 2.187 322 E HA 0.400 4.765 4.350 0.026 0.000 0.268 322 E C -1.304 175.167 176.600 -0.215 0.000 0.896 322 E CA -0.444 55.941 56.400 -0.025 0.000 0.766 322 E CB 1.233 30.894 29.700 -0.065 0.000 1.142 322 E HN 0.340 nan 8.360 nan 0.000 0.408 358 D N 2.226 122.637 120.400 0.017 0.000 2.427 358 D HA 0.265 4.921 4.640 0.026 0.000 0.224 358 D C 0.523 176.831 176.300 0.013 0.000 1.157 358 D CA 0.120 54.128 54.000 0.013 0.000 0.828 358 D CB 0.229 41.032 40.800 0.005 0.000 0.974 358 D HN 0.449 nan 8.370 nan 0.000 0.498 359 R N 0.651 121.162 120.500 0.018 0.000 2.536 359 R HA 0.372 4.727 4.340 0.026 0.000 0.279 359 R C -0.451 175.874 176.300 0.041 0.000 1.001 359 R CA -0.547 55.560 56.100 0.012 0.000 1.027 359 R CB 0.539 30.832 30.300 -0.010 0.000 1.096 359 R HN -0.137 nan 8.270 nan 0.000 0.502 360 K N 2.438 122.861 120.400 0.039 0.000 2.401 360 K HA 0.027 4.363 4.320 0.026 0.000 0.278 360 K C -0.227 176.449 176.600 0.127 0.000 1.018 360 K CA 0.078 56.422 56.287 0.094 0.000 0.981 360 K CB 0.266 32.814 32.500 0.079 0.000 0.933 360 K HN 0.403 nan 8.250 nan 0.000 0.477 361 F N 4.109 124.098 119.950 0.066 0.000 2.506 361 F HA 0.061 4.604 4.527 0.027 0.000 0.351 361 F C 0.332 176.266 175.800 0.225 0.000 1.136 361 F CA 0.269 58.313 58.000 0.073 0.000 1.298 361 F CB 0.512 39.497 39.000 -0.024 0.000 1.145 361 F HN 0.521 nan 8.300 nan 0.000 0.593 362 R N 4.493 124.475 120.500 -0.864 0.000 2.629 362 R HA 0.717 5.072 4.340 0.026 0.000 0.266 362 R C -2.433 173.579 176.300 -0.480 0.000 1.051 362 R CA -1.156 54.730 56.100 -0.358 0.000 0.895 362 R CB 1.410 31.649 30.300 -0.102 0.000 1.246 362 R HN 0.595 nan 8.270 nan 0.000 0.459 363 V N 1.730 121.662 119.914 0.031 0.000 2.680 363 V HA 0.481 4.617 4.120 0.026 0.000 0.309 363 V C -0.849 175.353 176.094 0.180 0.000 1.052 363 V CA -0.903 61.484 62.300 0.144 0.000 0.908 363 V CB 2.013 33.950 31.823 0.189 0.000 1.001 363 V HN 0.837 nan 8.190 nan 0.000 0.431 364 K N 6.581 126.942 120.400 -0.066 0.000 2.227 364 K HA 0.456 4.792 4.320 0.026 0.000 0.280 364 K C -0.813 175.652 176.600 -0.226 0.000 1.041 364 K CA -0.672 55.335 56.287 -0.467 0.000 0.905 364 K CB 0.865 32.621 32.500 -1.240 0.000 1.068 364 K HN 0.604 nan 8.250 nan 0.000 0.470 365 I N 6.659 127.133 120.570 -0.159 0.000 2.281 365 I HA 0.131 4.316 4.170 0.026 0.000 0.293 365 I C 1.368 177.487 176.117 0.003 0.000 1.085 365 I CA -0.072 61.192 61.300 -0.060 0.000 1.257 365 I CB 0.510 38.450 38.000 -0.099 0.000 1.430 365 I HN 0.755 nan 8.210 nan 0.000 0.489 366 R N 3.916 124.407 120.500 -0.014 0.000 2.061 366 R HA 0.166 4.521 4.340 0.026 0.000 0.230 366 R C 0.978 177.335 176.300 0.095 0.000 1.140 366 R CA 0.901 57.001 56.100 0.001 0.000 0.940 366 R CB 0.055 30.336 30.300 -0.032 0.000 0.839 366 R HN 0.772 nan 8.270 nan 0.000 0.429 367 G N 0.252 109.131 108.800 0.132 0.000 2.315 367 G HA2 0.335 4.311 3.960 0.026 0.000 0.294 367 G HA3 0.335 4.311 3.960 0.026 0.000 0.294 367 G C -1.578 173.412 174.900 0.149 0.000 1.300 367 G CA -0.745 44.472 45.100 0.196 0.000 0.843 367 G HN 0.217 nan 8.290 nan 0.000 0.527 368 I N -2.317 118.342 120.570 0.148 0.000 2.646 368 I HA 0.831 5.017 4.170 0.026 0.000 0.299 368 I C -1.681 174.443 176.117 0.012 0.000 1.036 368 I CA -0.925 60.422 61.300 0.079 0.000 1.074 368 I CB 2.714 40.809 38.000 0.159 0.000 1.258 368 I HN 0.265 nan 8.210 nan 0.000 0.430 369 D N 6.004 126.373 120.400 -0.051 0.000 2.863 369 D HA 0.588 5.243 4.640 0.026 0.000 0.245 369 D C -1.353 174.890 176.300 -0.095 0.000 1.211 369 D CA -0.112 53.848 54.000 -0.066 0.000 0.888 369 D CB 3.366 44.121 40.800 -0.075 0.000 1.483 369 D HN 0.650 nan 8.370 nan 0.000 0.533 370 I N 2.568 123.092 120.570 -0.077 0.000 2.607 370 I HA 0.258 4.443 4.170 0.026 0.000 0.290 370 I C -2.068 174.011 176.117 -0.062 0.000 1.129 370 I CA -2.431 58.821 61.300 -0.080 0.000 1.042 370 I CB 3.048 40.989 38.000 -0.097 0.000 1.242 370 I HN 0.027 nan 8.210 nan 0.000 0.421 371 P HA -0.007 nan 4.420 nan 0.000 0.216 371 P C -0.060 177.212 177.300 -0.046 0.000 1.153 371 P CA 0.814 63.891 63.100 -0.038 0.000 0.844 371 P CB 0.264 31.951 31.700 -0.021 0.000 0.787 372 V N 0.246 120.137 119.914 -0.038 0.000 2.604 372 V HA 0.273 4.409 4.120 0.026 0.000 0.305 372 V C -0.091 175.972 176.094 -0.052 0.000 1.043 372 V CA -1.170 61.103 62.300 -0.044 0.000 0.888 372 V CB 2.075 33.885 31.823 -0.021 0.000 0.995 372 V HN -0.152 nan 8.190 nan 0.000 0.429 373 L N 8.029 129.193 121.223 -0.098 0.000 2.397 373 L HA 0.385 4.740 4.340 0.026 0.000 0.271 373 L C -1.543 175.303 176.870 -0.039 0.000 1.148 373 L CA -0.672 54.078 54.840 -0.150 0.000 0.825 373 L CB 1.143 43.048 42.059 -0.255 0.000 1.117 373 L HN 0.568 nan 8.230 nan 0.000 0.456 374 P HA -0.025 nan 4.420 nan 0.000 0.327 374 P C 0.390 177.723 177.300 0.054 0.000 1.414 374 P CA -0.062 63.095 63.100 0.095 0.000 0.823 374 P CB 0.130 31.946 31.700 0.194 0.000 1.899 375 R N 0.573 121.114 120.500 0.068 0.000 2.375 375 R HA -0.300 4.055 4.340 0.026 0.000 0.270 375 R C 0.750 177.071 176.300 0.035 0.000 1.218 375 R CA 1.948 58.078 56.100 0.050 0.000 1.047 375 R CB -2.141 28.194 30.300 0.057 0.000 0.873 375 R HN 0.716 nan 8.270 nan 0.000 0.497 376 N N -2.989 115.726 118.700 0.024 0.000 2.829 376 N HA -0.206 4.550 4.740 0.026 0.000 0.250 376 N C -1.171 174.339 175.510 -0.000 0.000 1.090 376 N CA 1.255 54.300 53.050 -0.009 0.000 0.781 376 N CB -2.029 36.450 38.487 -0.013 0.000 1.124 376 N HN 0.599 nan 8.380 nan 0.000 0.559 377 T N -1.866 112.703 114.554 0.025 0.000 2.855 377 T HA 0.479 4.845 4.350 0.026 0.000 0.281 377 T C -0.524 174.208 174.700 0.052 0.000 1.007 377 T CA -0.378 61.740 62.100 0.029 0.000 1.009 377 T CB 1.347 70.236 68.868 0.035 0.000 0.983 377 T HN 0.278 nan 8.240 nan 0.000 0.455 378 D N 2.442 122.866 120.400 0.040 0.000 2.455 378 D HA 0.151 4.807 4.640 0.026 0.000 0.265 378 D C -0.064 176.300 176.300 0.107 0.000 1.284 378 D CA -0.202 53.837 54.000 0.064 0.000 0.944 378 D CB 0.151 40.975 40.800 0.039 0.000 1.121 378 D HN 0.270 nan 8.370 nan 0.000 0.525 379 L N 1.312 122.644 121.223 0.182 0.000 2.267 379 L HA 0.587 4.943 4.340 0.026 0.000 0.264 379 L C 0.467 177.452 176.870 0.191 0.000 1.021 379 L CA -0.861 54.079 54.840 0.167 0.000 0.861 379 L CB 2.053 44.205 42.059 0.155 0.000 1.443 379 L HN 0.530 nan 8.230 nan 0.000 0.475 380 T N -0.124 114.512 114.554 0.136 0.000 2.943 380 T HA 0.662 5.028 4.350 0.026 0.000 0.284 380 T C -1.032 173.712 174.700 0.073 0.000 1.015 380 T CA -0.350 61.832 62.100 0.137 0.000 1.042 380 T CB 1.208 70.161 68.868 0.141 0.000 1.055 380 T HN 0.269 nan 8.240 nan 0.000 0.500 381 V N 4.615 124.590 119.914 0.101 0.000 2.851 381 V HA 0.672 4.807 4.120 0.026 0.000 0.307 381 V C -1.060 175.206 176.094 0.286 0.000 1.129 381 V CA -0.859 61.426 62.300 -0.026 0.000 0.932 381 V CB 1.701 33.356 31.823 -0.280 0.000 1.024 381 V HN 0.889 nan 8.190 nan 0.000 0.426 382 F N 3.120 123.199 119.950 0.216 0.000 2.620 382 F HA 0.946 5.488 4.527 0.026 0.000 0.320 382 F C -0.938 174.851 175.800 -0.020 0.000 1.069 382 F CA -1.309 56.797 58.000 0.176 0.000 0.953 382 F CB 1.806 40.849 39.000 0.072 0.000 1.322 382 F HN 0.160 nan 8.300 nan 0.000 0.479 383 V N 1.283 121.155 119.914 -0.070 0.000 2.370 383 V HA 0.299 4.434 4.120 0.026 0.000 0.283 383 V C -0.475 175.668 176.094 0.081 0.000 1.023 383 V CA -0.596 61.638 62.300 -0.109 0.000 0.857 383 V CB 1.178 32.725 31.823 -0.461 0.000 0.985 383 V HN 0.838 nan 8.190 nan 0.000 0.443 384 E N 3.271 123.616 120.200 0.242 0.000 2.156 384 E HA 0.668 5.033 4.350 0.026 0.000 0.279 384 E C -0.547 176.150 176.600 0.162 0.000 0.965 384 E CA -0.544 55.980 56.400 0.206 0.000 0.789 384 E CB 1.535 31.430 29.700 0.324 0.000 1.098 384 E HN 0.818 nan 8.360 nan 0.000 0.397 385 A N 5.229 128.138 122.820 0.148 0.000 2.287 385 A HA 0.438 4.773 4.320 0.026 0.000 0.317 385 A C -0.730 177.055 177.584 0.336 0.000 1.220 385 A CA -0.839 51.347 52.037 0.249 0.000 0.835 385 A CB 0.692 19.905 19.000 0.356 0.000 1.180 385 A HN 0.655 nan 8.150 nan 0.000 0.500 386 N N 2.227 121.065 118.700 0.230 0.000 2.362 386 N HA 0.413 5.169 4.740 0.026 0.000 0.298 386 N C -0.897 174.638 175.510 0.043 0.000 1.048 386 N CA -0.447 52.708 53.050 0.175 0.000 0.858 386 N CB 1.823 40.380 38.487 0.117 0.000 1.218 386 N HN 0.479 nan 8.380 nan 0.000 0.488 387 I N 1.841 122.390 120.570 -0.034 0.000 2.315 387 I HA 0.241 4.427 4.170 0.026 0.000 0.291 387 I C 0.298 176.375 176.117 -0.067 0.000 1.006 387 I CA -0.092 61.103 61.300 -0.175 0.000 1.265 387 I CB 0.772 38.582 38.000 -0.316 0.000 1.387 387 I HN 0.297 nan 8.210 nan 0.000 0.475 388 Q N 4.781 124.544 119.800 -0.062 0.000 2.375 388 Q HA 0.416 4.772 4.340 0.026 0.000 0.271 388 Q C -1.019 174.983 176.000 0.005 0.000 1.074 388 Q CA -0.648 55.144 55.803 -0.018 0.000 0.808 388 Q CB 2.897 31.620 28.738 -0.025 0.000 1.327 388 Q HN 0.523 nan 8.270 nan 0.000 0.441 389 H N 0.649 119.661 119.070 -0.096 0.000 3.108 389 H HA 0.277 4.849 4.556 0.026 0.000 0.329 389 H C -0.062 175.156 175.328 -0.183 0.000 0.978 389 H CA 0.714 56.675 56.048 -0.145 0.000 1.413 389 H CB 1.266 30.957 29.762 -0.120 0.000 1.670 389 H HN 0.944 nan 8.280 nan 0.000 0.512 390 G N 4.386 112.962 108.800 -0.373 0.000 2.225 390 G HA2 -0.304 3.672 3.960 0.026 0.000 0.264 390 G HA3 -0.304 3.672 3.960 0.026 0.000 0.264 390 G C 0.495 175.269 174.900 -0.211 0.000 1.060 390 G CA 0.733 45.627 45.100 -0.343 0.000 0.833 390 G HN 0.839 nan 8.290 nan 0.000 0.498 391 Q N -2.241 117.475 119.800 -0.139 0.000 2.393 391 Q HA -0.271 4.085 4.340 0.026 0.000 0.235 391 Q C 0.778 176.753 176.000 -0.042 0.000 0.823 391 Q CA 1.882 57.640 55.803 -0.076 0.000 1.284 391 Q CB -0.539 28.149 28.738 -0.083 0.000 1.669 391 Q HN 0.872 nan 8.270 nan 0.000 0.597 392 Q N 0.442 120.224 119.800 -0.030 0.000 2.279 392 Q HA 0.353 4.709 4.340 0.026 0.000 0.256 392 Q C -0.733 175.284 176.000 0.029 0.000 0.937 392 Q CA -0.312 55.499 55.803 0.015 0.000 0.933 392 Q CB 1.153 29.927 28.738 0.061 0.000 1.189 392 Q HN 0.065 nan 8.270 nan 0.000 0.417 393 V N 6.747 126.680 119.914 0.032 0.000 2.405 393 V HA -0.001 4.135 4.120 0.026 0.000 0.264 393 V C 1.227 177.344 176.094 0.038 0.000 1.048 393 V CA 0.208 62.531 62.300 0.038 0.000 0.966 393 V CB 0.519 32.371 31.823 0.048 0.000 1.015 393 V HN 0.879 nan 8.190 nan 0.000 0.477 394 L N 3.629 124.871 121.223 0.032 0.000 2.049 394 L HA 0.092 4.448 4.340 0.026 0.000 0.203 394 L C 1.028 177.926 176.870 0.047 0.000 1.074 394 L CA 1.227 56.081 54.840 0.023 0.000 0.749 394 L CB -0.004 42.051 42.059 -0.007 0.000 0.907 394 L HN 0.683 nan 8.230 nan 0.000 0.439 395 C N -1.092 118.258 119.300 0.084 0.000 3.239 395 C HA 0.519 4.994 4.460 0.026 0.000 0.317 395 C C -1.363 173.792 174.990 0.275 0.000 1.310 395 C CA -0.524 58.600 59.018 0.177 0.000 1.371 395 C CB 1.889 29.787 27.740 0.264 0.000 1.714 395 C HN 0.450 nan 8.230 nan 0.000 0.473 396 Q N 3.797 123.735 119.800 0.231 0.000 2.289 396 Q HA 0.646 5.002 4.340 0.026 0.000 0.270 396 Q C -1.478 174.518 176.000 -0.005 0.000 1.038 396 Q CA -0.540 55.368 55.803 0.174 0.000 0.812 396 Q CB 1.475 30.262 28.738 0.080 0.000 1.300 396 Q HN 0.801 nan 8.270 nan 0.000 0.427 397 R N 2.692 123.126 120.500 -0.109 0.000 2.744 397 R HA 0.609 4.965 4.340 0.026 0.000 0.279 397 R C -0.873 175.312 176.300 -0.193 0.000 0.977 397 R CA -0.713 55.224 56.100 -0.271 0.000 0.906 397 R CB 2.157 32.113 30.300 -0.573 0.000 1.197 397 R HN 0.702 nan 8.270 nan 0.000 0.463 398 R N 0.080 120.443 120.500 -0.227 0.000 2.832 398 R HA 0.453 4.809 4.340 0.026 0.000 0.271 398 R C 0.247 176.381 176.300 -0.276 0.000 0.996 398 R CA -0.773 55.176 56.100 -0.251 0.000 0.977 398 R CB 1.776 31.830 30.300 -0.411 0.000 1.168 398 R HN 0.723 nan 8.270 nan 0.000 0.482 399 T N -1.487 112.861 114.554 -0.342 0.000 2.770 399 T HA 0.199 4.565 4.350 0.026 0.000 0.281 399 T C 0.750 175.379 174.700 -0.118 0.000 0.981 399 T CA -0.847 61.012 62.100 -0.403 0.000 0.955 399 T CB 0.869 68.979 68.868 -1.263 0.000 1.060 399 T HN 0.610 nan 8.240 nan 0.000 0.531 400 S N 0.615 116.420 115.700 0.176 0.000 2.614 400 S HA 0.423 4.909 4.470 0.026 0.000 0.265 400 S C -2.659 172.215 174.600 0.457 0.000 1.303 400 S CA -1.249 57.105 58.200 0.256 0.000 1.000 400 S CB -0.340 63.018 63.200 0.264 0.000 0.935 400 S HN 0.668 nan 8.310 nan 0.000 0.551 401 P HA 0.331 nan 4.420 nan 0.000 0.268 401 P C -0.774 176.693 177.300 0.279 0.000 1.205 401 P CA -0.107 63.209 63.100 0.360 0.000 0.771 401 P CB 0.235 32.072 31.700 0.230 0.000 0.858 402 K N 2.532 123.064 120.400 0.220 0.000 2.551 402 K HA 0.410 4.745 4.320 0.026 0.000 0.269 402 K C -2.817 173.802 176.600 0.030 0.000 0.949 402 K CA -2.216 54.076 56.287 0.009 0.000 0.849 402 K CB 1.846 34.160 32.500 -0.311 0.000 1.411 402 K HN 0.145 nan 8.250 nan 0.000 0.432 403 P HA -0.043 nan 4.420 nan 0.000 0.260 403 P C -0.726 176.639 177.300 0.108 0.000 1.207 403 P CA -0.119 63.014 63.100 0.054 0.000 0.780 403 P CB -0.010 31.695 31.700 0.008 0.000 0.789 404 F N 5.680 125.625 119.950 -0.009 0.000 2.495 404 F HA 0.031 4.574 4.527 0.027 0.000 0.339 404 F C 0.682 176.473 175.800 -0.015 0.000 1.226 404 F CA -0.053 57.947 58.000 0.000 0.000 0.998 404 F CB -1.089 37.934 39.000 0.039 0.000 1.180 404 F HN 0.185 nan 8.300 nan 0.000 0.611 405 T N 1.722 116.246 114.554 -0.050 0.000 2.922 405 T HA 0.281 4.647 4.350 0.026 0.000 0.281 405 T C 1.144 175.698 174.700 -0.242 0.000 1.005 405 T CA -0.591 61.398 62.100 -0.185 0.000 0.982 405 T CB 1.143 69.949 68.868 -0.103 0.000 1.158 405 T HN 0.461 nan 8.240 nan 0.000 0.566 406 E N 0.052 120.125 120.200 -0.211 0.000 2.267 406 E HA -0.117 4.249 4.350 0.026 0.000 0.197 406 E C 0.433 176.978 176.600 -0.092 0.000 0.998 406 E CA 0.966 57.266 56.400 -0.167 0.000 0.830 406 E CB 0.150 29.774 29.700 -0.127 0.000 0.751 406 E HN 0.760 nan 8.360 nan 0.000 0.491 407 E N 0.761 120.916 120.200 -0.076 0.000 2.302 407 E HA 0.332 4.698 4.350 0.026 0.000 0.263 407 E C -1.738 174.819 176.600 -0.073 0.000 0.897 407 E CA -0.356 56.009 56.400 -0.058 0.000 0.809 407 E CB 2.005 31.668 29.700 -0.061 0.000 1.270 407 E HN -0.137 nan 8.360 nan 0.000 0.410 408 V N 5.205 125.075 119.914 -0.073 0.000 2.604 408 V HA 0.550 4.686 4.120 0.026 0.000 0.305 408 V C -0.276 175.673 176.094 -0.242 0.000 1.043 408 V CA -0.746 61.434 62.300 -0.200 0.000 0.888 408 V CB 1.829 33.502 31.823 -0.250 0.000 0.995 408 V HN 0.571 nan 8.190 nan 0.000 0.429 409 L N 3.230 124.254 121.223 -0.331 0.000 2.381 409 L HA 0.471 4.827 4.340 0.026 0.000 0.274 409 L C 0.100 176.802 176.870 -0.281 0.000 0.988 409 L CA -0.229 54.496 54.840 -0.192 0.000 0.824 409 L CB 2.443 44.436 42.059 -0.110 0.000 1.263 409 L HN 0.695 nan 8.230 nan 0.000 0.410 410 W N 0.640 121.922 121.300 -0.030 0.000 2.699 410 W HA 0.068 4.744 4.660 0.027 0.000 0.267 410 W C 1.008 177.489 176.519 -0.064 0.000 1.182 410 W CA 0.106 57.431 57.345 -0.033 0.000 1.453 410 W CB 0.209 29.654 29.460 -0.026 0.000 1.054 410 W HN 0.780 nan 8.180 nan 0.000 0.595 411 N N 1.042 119.814 118.700 0.120 0.000 2.699 411 N HA -0.193 4.563 4.740 0.026 0.000 0.256 411 N C -1.050 174.422 175.510 -0.062 0.000 0.993 411 N CA 0.929 53.963 53.050 -0.026 0.000 0.759 411 N CB -1.186 37.275 38.487 -0.044 0.000 0.906 411 N HN -0.118 nan 8.380 nan 0.000 0.541 412 V N -1.518 118.363 119.914 -0.056 0.000 2.540 412 V HA 0.587 4.723 4.120 0.026 0.000 0.302 412 V C 0.460 176.461 176.094 -0.156 0.000 1.035 412 V CA -1.247 61.018 62.300 -0.059 0.000 0.873 412 V CB 1.059 32.902 31.823 0.034 0.000 0.992 412 V HN 0.243 nan 8.190 nan 0.000 0.428 413 W N 3.821 125.115 121.300 -0.010 0.000 2.368 413 W HA 0.547 5.222 4.660 0.026 0.000 0.316 413 W C -0.023 176.449 176.519 -0.078 0.000 1.375 413 W CA -0.391 56.930 57.345 -0.041 0.000 1.261 413 W CB 0.713 30.148 29.460 -0.042 0.000 1.298 413 W HN 0.451 nan 8.180 nan 0.000 0.539 414 L N 3.916 125.226 121.223 0.146 0.000 2.255 414 L HA 0.262 4.618 4.340 0.026 0.000 0.289 414 L C 0.151 176.958 176.870 -0.105 0.000 1.046 414 L CA -0.606 54.193 54.840 -0.069 0.000 0.816 414 L CB 0.918 42.868 42.059 -0.183 0.000 1.197 414 L HN 0.407 nan 8.230 nan 0.000 0.427 415 E N 2.939 123.056 120.200 -0.139 0.000 2.200 415 E HA 0.397 4.762 4.350 0.026 0.000 0.283 415 E C -1.088 175.409 176.600 -0.172 0.000 1.015 415 E CA -0.486 55.871 56.400 -0.071 0.000 0.819 415 E CB 0.848 30.527 29.700 -0.035 0.000 1.081 415 E HN 0.216 nan 8.360 nan 0.000 0.397 416 F N 1.609 121.608 119.950 0.081 0.000 2.380 416 F HA 0.144 4.686 4.527 0.025 0.000 0.321 416 F C 1.812 177.653 175.800 0.068 0.000 1.103 416 F CA -0.304 57.758 58.000 0.104 0.000 1.067 416 F CB 1.487 40.611 39.000 0.206 0.000 1.265 416 F HN 0.594 nan 8.300 nan 0.000 0.517 417 S N 0.008 115.849 115.700 0.235 0.000 2.481 417 S HA 0.027 4.513 4.470 0.026 0.000 0.231 417 S C 0.364 175.036 174.600 0.120 0.000 0.996 417 S CA 0.359 58.635 58.200 0.126 0.000 0.942 417 S CB -0.976 62.274 63.200 0.083 0.000 0.768 417 S HN 0.388 nan 8.310 nan 0.000 0.520 418 I N 1.743 122.412 120.570 0.166 0.000 2.440 418 I HA 0.347 4.533 4.170 0.026 0.000 0.294 418 I C 0.386 176.569 176.117 0.111 0.000 0.995 418 I CA -0.794 60.564 61.300 0.097 0.000 1.306 418 I CB 0.726 38.751 38.000 0.042 0.000 1.407 418 I HN -0.155 nan 8.210 nan 0.000 0.501 419 K N 4.166 124.603 120.400 0.061 0.000 2.107 419 K HA 0.313 4.649 4.320 0.026 0.000 0.251 419 K C 0.952 177.590 176.600 0.063 0.000 1.012 419 K CA -0.647 55.677 56.287 0.063 0.000 0.920 419 K CB 1.278 33.796 32.500 0.030 0.000 1.033 419 K HN 0.464 nan 8.250 nan 0.000 0.478 420 I N 1.258 121.878 120.570 0.083 0.000 2.202 420 I HA -0.195 3.991 4.170 0.026 0.000 0.242 420 I C 1.873 178.011 176.117 0.036 0.000 1.091 420 I CA 1.343 62.693 61.300 0.084 0.000 1.368 420 I CB -0.718 37.343 38.000 0.102 0.000 1.058 420 I HN 0.490 nan 8.210 nan 0.000 0.410 421 K N 1.050 121.466 120.400 0.028 0.000 2.442 421 K HA -0.124 4.212 4.320 0.026 0.000 0.198 421 K C 1.307 177.904 176.600 -0.006 0.000 1.044 421 K CA 0.884 57.179 56.287 0.014 0.000 0.948 421 K CB -0.320 32.186 32.500 0.011 0.000 0.762 421 K HN 0.294 nan 8.250 nan 0.000 0.472 422 D N -0.491 119.900 120.400 -0.015 0.000 2.354 422 D HA 0.025 4.680 4.640 0.026 0.000 0.209 422 D C 0.057 176.324 176.300 -0.055 0.000 1.015 422 D CA 0.034 54.011 54.000 -0.038 0.000 0.867 422 D CB 0.280 41.058 40.800 -0.038 0.000 0.933 422 D HN 0.132 nan 8.370 nan 0.000 0.520 423 L N 3.663 124.849 121.223 -0.062 0.000 2.513 423 L HA 0.108 4.464 4.340 0.026 0.000 0.272 423 L C -1.878 174.968 176.870 -0.041 0.000 1.187 423 L CA -1.004 53.780 54.840 -0.094 0.000 0.895 423 L CB 0.049 42.016 42.059 -0.152 0.000 1.147 423 L HN -0.158 nan 8.230 nan 0.000 0.483 424 P HA 0.147 nan 4.420 nan 0.000 0.279 424 P C -0.946 176.420 177.300 0.109 0.000 1.252 424 P CA -0.872 62.242 63.100 0.023 0.000 0.811 424 P CB 1.071 32.711 31.700 -0.099 0.000 1.035 425 K N 0.577 121.082 120.400 0.175 0.000 2.448 425 K HA 0.262 4.597 4.320 0.026 0.000 0.278 425 K C 1.107 177.857 176.600 0.251 0.000 1.009 425 K CA 1.128 57.545 56.287 0.217 0.000 0.995 425 K CB -0.693 31.953 32.500 0.243 0.000 0.917 425 K HN 0.798 nan 8.250 nan 0.000 0.481 426 G N 1.724 110.657 108.800 0.222 0.000 2.176 426 G HA2 -0.277 3.699 3.960 0.026 0.000 0.253 426 G HA3 -0.277 3.699 3.960 0.026 0.000 0.253 426 G C 0.086 174.943 174.900 -0.072 0.000 0.979 426 G CA 0.038 45.146 45.100 0.013 0.000 0.641 426 G HN 0.911 nan 8.290 nan 0.000 0.530 427 A N 0.094 122.937 122.820 0.039 0.000 2.462 427 A HA 0.692 5.028 4.320 0.026 0.000 0.243 427 A C 0.396 177.906 177.584 -0.123 0.000 1.076 427 A CA 0.294 52.319 52.037 -0.022 0.000 0.773 427 A CB 0.393 19.365 19.000 -0.047 0.000 1.010 427 A HN 0.866 nan 8.150 nan 0.000 0.493 428 L N 2.016 123.160 121.223 -0.132 0.000 2.334 428 L HA 0.393 4.749 4.340 0.026 0.000 0.276 428 L C -0.571 176.215 176.870 -0.141 0.000 1.014 428 L CA -0.995 53.767 54.840 -0.130 0.000 0.815 428 L CB 1.787 43.791 42.059 -0.092 0.000 1.268 428 L HN 0.681 nan 8.230 nan 0.000 0.428 429 L N 4.371 125.514 121.223 -0.133 0.000 2.261 429 L HA 0.283 4.639 4.340 0.026 0.000 0.289 429 L C -0.027 176.835 176.870 -0.014 0.000 1.059 429 L CA 0.298 55.081 54.840 -0.095 0.000 0.816 429 L CB 0.371 42.387 42.059 -0.071 0.000 1.191 429 L HN 0.554 nan 8.230 nan 0.000 0.431 430 N N 6.289 125.003 118.700 0.023 0.000 2.426 430 N HA 0.283 5.039 4.740 0.026 0.000 0.257 430 N C -1.502 174.077 175.510 0.114 0.000 1.002 430 N CA -0.477 52.619 53.050 0.077 0.000 0.942 430 N CB 0.753 39.283 38.487 0.072 0.000 1.112 430 N HN 0.647 nan 8.380 nan 0.000 0.499 431 L N 3.072 124.370 121.223 0.125 0.000 2.305 431 L HA 0.410 4.766 4.340 0.026 0.000 0.284 431 L C -0.102 176.857 176.870 0.149 0.000 1.013 431 L CA -0.521 54.393 54.840 0.123 0.000 0.819 431 L CB 1.717 43.826 42.059 0.082 0.000 1.227 431 L HN 0.443 nan 8.230 nan 0.000 0.417 432 Q N 3.931 123.827 119.800 0.160 0.000 2.423 432 Q HA 0.656 5.012 4.340 0.026 0.000 0.278 432 Q C -1.256 174.816 176.000 0.120 0.000 1.097 432 Q CA -0.822 55.070 55.803 0.149 0.000 0.809 432 Q CB 3.559 32.407 28.738 0.183 0.000 1.391 432 Q HN 0.507 nan 8.270 nan 0.000 0.428 433 I N 1.787 122.348 120.570 -0.014 0.000 2.447 433 I HA 0.398 4.583 4.170 0.026 0.000 0.287 433 I C -1.355 174.579 176.117 -0.305 0.000 1.023 433 I CA -0.593 60.671 61.300 -0.061 0.000 1.083 433 I CB 1.167 39.197 38.000 0.050 0.000 1.245 433 I HN 0.543 nan 8.210 nan 0.000 0.434 434 Y N 4.794 124.776 120.300 -0.529 0.000 2.549 434 Y HA 0.729 5.294 4.550 0.026 0.000 0.339 434 Y C 0.292 175.838 175.900 -0.591 0.000 1.053 434 Y CA -0.415 57.318 58.100 -0.611 0.000 1.105 434 Y CB 1.978 39.883 38.460 -0.925 0.000 1.258 434 Y HN 0.714 nan 8.280 nan 0.000 0.478 460 L N 2.624 123.655 121.223 -0.320 0.000 2.477 460 L HA 0.178 4.534 4.340 0.026 0.000 0.272 460 L C 0.665 177.287 176.870 -0.413 0.000 1.157 460 L CA 0.587 55.021 54.840 -0.677 0.000 0.889 460 L CB 0.689 42.340 42.059 -0.680 0.000 1.158 460 L HN 0.288 nan 8.230 nan 0.000 0.473 461 L N 4.460 125.430 121.223 -0.421 0.000 2.730 461 L HA 0.304 4.659 4.340 0.026 0.000 0.236 461 L C -0.735 175.770 176.870 -0.609 0.000 1.061 461 L CA -0.263 54.294 54.840 -0.471 0.000 0.898 461 L CB 0.507 42.274 42.059 -0.486 0.000 1.270 461 L HN 0.538 nan 8.230 nan 0.000 0.500 462 Y N -1.031 119.226 120.300 -0.072 0.000 2.534 462 Y HA 0.464 5.030 4.550 0.026 0.000 0.345 462 Y C -0.842 175.105 175.900 0.079 0.000 1.031 462 Y CA -1.225 56.874 58.100 -0.001 0.000 1.022 462 Y CB 1.565 40.000 38.460 -0.042 0.000 1.292 462 Y HN -0.008 nan 8.280 nan 0.000 0.459 463 Y N -0.399 120.021 120.300 0.200 0.000 2.562 463 Y HA 0.907 5.473 4.550 0.027 0.000 0.345 463 Y C -1.964 174.069 175.900 0.222 0.000 1.045 463 Y CA -1.492 56.702 58.100 0.157 0.000 1.028 463 Y CB 1.639 40.164 38.460 0.108 0.000 1.297 463 Y HN 0.594 nan 8.280 nan 0.000 0.463 464 V N 2.349 122.410 119.914 0.246 0.000 3.204 464 V HA 0.539 4.675 4.120 0.026 0.000 0.298 464 V C -1.890 174.324 176.094 0.199 0.000 1.328 464 V CA -0.835 61.584 62.300 0.200 0.000 1.035 464 V CB 2.600 34.443 31.823 0.034 0.000 1.095 464 V HN 1.008 nan 8.190 nan 0.000 0.442 465 N N 2.690 121.500 118.700 0.182 0.000 2.265 465 N HA 0.724 5.480 4.740 0.026 0.000 0.300 465 N C -1.774 173.768 175.510 0.054 0.000 1.148 465 N CA -0.397 52.719 53.050 0.109 0.000 0.772 465 N CB 2.535 41.089 38.487 0.111 0.000 1.434 465 N HN 0.539 nan 8.380 nan 0.000 0.481 466 L N 1.516 122.724 121.223 -0.026 0.000 2.439 466 L HA 0.469 4.825 4.340 0.026 0.000 0.270 466 L C -1.173 175.621 176.870 -0.127 0.000 0.972 466 L CA -0.451 54.323 54.840 -0.110 0.000 0.836 466 L CB 1.346 43.240 42.059 -0.275 0.000 1.255 466 L HN 0.454 nan 8.230 nan 0.000 0.404 467 L N 5.710 126.872 121.223 -0.101 0.000 2.513 467 L HA 0.047 4.403 4.340 0.026 0.000 0.272 467 L C 1.237 178.038 176.870 -0.115 0.000 1.187 467 L CA 0.261 55.029 54.840 -0.120 0.000 0.895 467 L CB 0.492 42.492 42.059 -0.099 0.000 1.147 467 L HN 0.768 nan 8.230 nan 0.000 0.483 468 L N 4.422 125.571 121.223 -0.123 0.000 2.127 468 L HA 0.107 4.463 4.340 0.026 0.000 0.203 468 L C 0.734 177.573 176.870 -0.051 0.000 1.080 468 L CA 0.816 55.578 54.840 -0.129 0.000 0.768 468 L CB 0.151 42.059 42.059 -0.251 0.000 0.924 468 L HN 0.514 nan 8.230 nan 0.000 0.444 469 I N 0.665 121.230 120.570 -0.007 0.000 2.359 469 I HA 0.114 4.300 4.170 0.026 0.000 0.294 469 I C -0.463 175.717 176.117 0.104 0.000 0.987 469 I CA -0.784 60.544 61.300 0.047 0.000 1.225 469 I CB 1.476 39.521 38.000 0.075 0.000 1.366 469 I HN 0.113 nan 8.210 nan 0.000 0.466 470 D N 4.161 124.580 120.400 0.031 0.000 2.529 470 D HA 0.075 4.731 4.640 0.026 0.000 0.273 470 D C 1.188 177.384 176.300 -0.174 0.000 1.197 470 D CA -0.234 53.790 54.000 0.039 0.000 1.070 470 D CB 0.298 41.070 40.800 -0.047 0.000 1.134 470 D HN 0.593 nan 8.370 nan 0.000 0.590 471 H N -0.833 118.133 119.070 -0.174 0.000 2.521 471 H HA 0.079 4.651 4.556 0.026 0.000 0.286 471 H C 0.723 175.706 175.328 -0.576 0.000 1.034 471 H CA 0.540 56.313 56.048 -0.459 0.000 1.278 471 H CB -0.124 29.511 29.762 -0.212 0.000 1.386 471 H HN 0.307 nan 8.280 nan 0.000 0.567 472 R N -0.032 120.028 120.500 -0.734 0.000 2.480 472 R HA 0.092 4.447 4.340 0.026 0.000 0.277 472 R C -0.428 175.885 176.300 0.022 0.000 1.008 472 R CA -0.275 55.617 56.100 -0.347 0.000 1.090 472 R CB -0.195 29.886 30.300 -0.365 0.000 1.234 472 R HN 0.129 nan 8.270 nan 0.000 0.549 473 F N -0.792 119.067 119.950 -0.153 0.000 3.084 473 F HA -0.280 4.262 4.527 0.026 0.000 0.286 473 F C -0.259 175.519 175.800 -0.037 0.000 0.855 473 F CA 0.314 58.273 58.000 -0.070 0.000 1.091 473 F CB -1.940 37.035 39.000 -0.042 0.000 1.177 473 F HN 0.066 nan 8.300 nan 0.000 0.542 474 L N 0.792 122.043 121.223 0.047 0.000 2.317 474 L HA 0.542 4.897 4.340 0.026 0.000 0.281 474 L C 0.338 177.231 176.870 0.038 0.000 1.024 474 L CA -1.292 53.579 54.840 0.052 0.000 0.810 474 L CB 1.394 43.462 42.059 0.015 0.000 1.240 474 L HN 0.020 nan 8.230 nan 0.000 0.427 475 L N 3.350 124.606 121.223 0.054 0.000 2.485 475 L HA 0.113 4.469 4.340 0.026 0.000 0.275 475 L C 0.439 177.331 176.870 0.036 0.000 1.207 475 L CA 0.462 55.329 54.840 0.046 0.000 0.855 475 L CB 0.371 42.465 42.059 0.058 0.000 1.114 475 L HN 0.527 nan 8.230 nan 0.000 0.485 476 R N 4.213 124.742 120.500 0.048 0.000 2.340 476 R HA 0.438 4.794 4.340 0.026 0.000 0.300 476 R C -0.761 175.611 176.300 0.120 0.000 1.069 476 R CA -0.125 56.013 56.100 0.064 0.000 0.984 476 R CB 0.418 30.710 30.300 -0.014 0.000 1.003 476 R HN 0.702 nan 8.270 nan 0.000 0.459 477 R N 2.695 123.292 120.500 0.162 0.000 2.532 477 R HA 0.542 4.898 4.340 0.026 0.000 0.297 477 R C -0.923 175.481 176.300 0.174 0.000 0.984 477 R CA 0.037 56.216 56.100 0.131 0.000 0.884 477 R CB 2.187 32.492 30.300 0.008 0.000 1.182 477 R HN 0.972 nan 8.270 nan 0.000 0.442 478 G N 1.866 110.769 108.800 0.172 0.000 2.298 478 G HA2 -0.126 3.850 3.960 0.026 0.000 0.309 478 G HA3 -0.126 3.850 3.960 0.026 0.000 0.309 478 G C -1.456 173.412 174.900 -0.052 0.000 1.279 478 G CA -0.986 44.113 45.100 -0.003 0.000 1.042 478 G HN 0.395 nan 8.290 nan 0.000 0.480 479 E N 0.010 120.069 120.200 -0.234 0.000 2.338 479 E HA 0.529 4.895 4.350 0.026 0.000 0.272 479 E C -1.144 175.148 176.600 -0.514 0.000 1.029 479 E CA 0.342 56.616 56.400 -0.210 0.000 0.872 479 E CB 1.137 30.743 29.700 -0.156 0.000 1.015 479 E HN 0.402 nan 8.360 nan 0.000 0.417 480 Y N -0.258 120.031 120.300 -0.018 0.000 2.421 480 Y HA 0.258 4.824 4.550 0.027 0.000 0.339 480 Y C -0.277 175.609 175.900 -0.023 0.000 0.996 480 Y CA -0.917 57.173 58.100 -0.018 0.000 1.046 480 Y CB 1.911 40.346 38.460 -0.043 0.000 1.226 480 Y HN 0.111 nan 8.280 nan 0.000 0.445 481 V N 5.624 125.606 119.914 0.114 0.000 2.293 481 V HA 0.380 4.516 4.120 0.026 0.000 0.275 481 V C -0.515 175.603 176.094 0.040 0.000 1.021 481 V CA -0.625 61.692 62.300 0.029 0.000 0.815 481 V CB 0.647 32.470 31.823 -0.001 0.000 1.025 481 V HN 0.556 nan 8.190 nan 0.000 0.448 482 L N 4.853 126.067 121.223 -0.016 0.000 2.282 482 L HA 0.561 4.917 4.340 0.026 0.000 0.288 482 L C 0.073 176.847 176.870 -0.161 0.000 1.033 482 L CA -0.526 54.311 54.840 -0.005 0.000 0.807 482 L CB 1.042 43.112 42.059 0.019 0.000 1.209 482 L HN 0.523 nan 8.230 nan 0.000 0.423 483 H N 4.630 123.617 119.070 -0.138 0.000 2.562 483 H HA 0.443 5.015 4.556 0.026 0.000 0.314 483 H C -0.405 174.679 175.328 -0.407 0.000 1.079 483 H CA -0.199 55.707 56.048 -0.237 0.000 1.349 483 H CB 1.579 31.202 29.762 -0.232 0.000 1.432 483 H HN 0.489 nan 8.280 nan 0.000 0.479 484 M N 2.272 121.680 119.600 -0.320 0.000 2.573 484 M HA 0.240 4.736 4.480 0.026 0.000 0.309 484 M C -0.546 175.447 176.300 -0.512 0.000 1.202 484 M CA -0.706 54.361 55.300 -0.388 0.000 0.975 484 M CB 1.583 34.076 32.600 -0.179 0.000 1.600 484 M HN 0.417 nan 8.290 nan 0.000 0.479 485 W N 0.571 121.684 121.300 -0.313 0.000 2.375 485 W HA 0.484 5.160 4.660 0.026 0.000 0.336 485 W C -0.115 176.292 176.519 -0.187 0.000 1.160 485 W CA -0.355 56.781 57.345 -0.349 0.000 1.266 485 W CB 0.550 29.605 29.460 -0.675 0.000 1.195 485 W HN 0.453 nan 8.180 nan 0.000 0.599 486 Q N 2.222 122.159 119.800 0.229 0.000 2.322 486 Q HA 0.435 4.791 4.340 0.026 0.000 0.265 486 Q C -0.722 175.349 176.000 0.119 0.000 0.985 486 Q CA -0.932 54.931 55.803 0.100 0.000 0.849 486 Q CB 1.232 30.032 28.738 0.104 0.000 1.274 486 Q HN 0.495 nan 8.270 nan 0.000 0.449 487 I N 2.602 123.205 120.570 0.055 0.000 2.948 487 I HA -0.047 4.139 4.170 0.026 0.000 0.290 487 I C 0.081 176.206 176.117 0.013 0.000 1.226 487 I CA 1.060 62.405 61.300 0.076 0.000 1.413 487 I CB 1.265 39.247 38.000 -0.029 0.000 1.352 487 I HN 0.685 nan 8.210 nan 0.000 0.597 488 S N 4.222 119.940 115.700 0.029 0.000 2.457 488 S HA 0.858 5.344 4.470 0.026 0.000 0.289 488 S C -0.300 174.295 174.600 -0.009 0.000 1.163 488 S CA 0.244 58.453 58.200 0.015 0.000 1.078 488 S CB 0.472 63.691 63.200 0.031 0.000 0.987 488 S HN 1.011 nan 8.310 nan 0.000 0.482 498 N N 0.440 119.198 118.700 0.097 0.000 3.997 498 N HA 0.266 5.022 4.740 0.026 0.000 0.209 498 N C 0.056 175.599 175.510 0.055 0.000 1.108 498 N CA 0.278 53.357 53.050 0.048 0.000 1.020 498 N CB 0.725 39.220 38.487 0.013 0.000 1.628 498 N HN 0.052 nan 8.380 nan 0.000 0.588 499 A N 1.536 124.413 122.820 0.094 0.000 1.940 499 A HA -0.169 4.167 4.320 0.026 0.000 0.219 499 A C 1.262 178.920 177.584 0.123 0.000 1.176 499 A CA 2.090 54.201 52.037 0.124 0.000 0.631 499 A CB -0.635 18.327 19.000 -0.063 0.000 0.814 499 A HN 0.757 nan 8.150 nan 0.000 0.446 500 D N -0.341 120.050 120.400 -0.015 0.000 2.221 500 D HA -0.124 4.531 4.640 0.026 0.000 0.204 500 D C 1.722 177.961 176.300 -0.101 0.000 0.982 500 D CA 1.239 55.113 54.000 -0.210 0.000 0.857 500 D CB -0.225 40.193 40.800 -0.636 0.000 0.934 500 D HN 0.512 nan 8.370 nan 0.000 0.475 501 K N -0.197 120.110 120.400 -0.155 0.000 2.439 501 K HA 0.064 4.400 4.320 0.026 0.000 0.197 501 K C 1.633 178.208 176.600 -0.041 0.000 1.041 501 K CA 0.244 56.328 56.287 -0.338 0.000 0.970 501 K CB 0.186 32.433 32.500 -0.422 0.000 0.773 501 K HN 0.165 nan 8.250 nan 0.000 0.479 502 L N 0.149 121.404 121.223 0.052 0.000 2.592 502 L HA 0.043 4.399 4.340 0.026 0.000 0.227 502 L C 1.035 177.964 176.870 0.098 0.000 1.127 502 L CA -0.096 54.798 54.840 0.089 0.000 0.884 502 L CB 0.285 42.425 42.059 0.134 0.000 1.065 502 L HN -0.007 nan 8.230 nan 0.000 0.457 503 T N -0.777 113.813 114.554 0.060 0.000 2.918 503 T HA 0.034 4.400 4.350 0.026 0.000 0.302 503 T C 1.321 176.054 174.700 0.055 0.000 1.045 503 T CA 0.217 62.276 62.100 -0.069 0.000 1.114 503 T CB 1.080 69.661 68.868 -0.479 0.000 0.965 503 T HN 0.328 nan 8.240 nan 0.000 0.540 504 S N 2.849 118.564 115.700 0.025 0.000 2.558 504 S HA 0.344 4.830 4.470 0.026 0.000 0.217 504 S C 0.951 175.618 174.600 0.111 0.000 0.975 504 S CA -0.102 58.131 58.200 0.056 0.000 0.912 504 S CB -0.032 63.141 63.200 -0.046 0.000 0.776 504 S HN 0.908 nan 8.310 nan 0.000 0.526 505 A N 2.688 125.581 122.820 0.121 0.000 2.425 505 A HA 0.530 4.866 4.320 0.026 0.000 0.249 505 A C 0.749 178.502 177.584 0.281 0.000 1.084 505 A CA -0.259 51.880 52.037 0.171 0.000 0.781 505 A CB -0.057 19.037 19.000 0.157 0.000 1.019 505 A HN 0.527 nan 8.150 nan 0.000 0.490 506 T N 0.731 115.330 114.554 0.076 0.000 2.899 506 T HA 0.265 4.630 4.350 0.026 0.000 0.284 506 T C 0.316 174.707 174.700 -0.516 0.000 1.004 506 T CA -0.900 61.100 62.100 -0.167 0.000 1.043 506 T CB 0.441 69.267 68.868 -0.070 0.000 1.013 506 T HN 0.585 nan 8.240 nan 0.000 0.518 507 N N 3.019 121.050 118.700 -1.116 0.000 2.414 507 N HA 0.059 4.815 4.740 0.026 0.000 0.268 507 N C -1.206 174.014 175.510 -0.483 0.000 1.286 507 N CA -1.887 50.456 53.050 -1.177 0.000 0.896 507 N CB 0.899 38.783 38.487 -1.005 0.000 1.093 507 N HN 0.414 nan 8.380 nan 0.000 0.480 508 P HA -0.072 nan 4.420 nan 0.000 0.223 508 P C 0.041 177.231 177.300 -0.183 0.000 1.151 508 P CA 0.611 63.614 63.100 -0.162 0.000 0.787 508 P CB 0.190 31.870 31.700 -0.034 0.000 0.788 509 D N 0.817 121.108 120.400 -0.182 0.000 2.489 509 D HA -0.005 4.650 4.640 0.026 0.000 0.237 509 D C 1.046 177.203 176.300 -0.238 0.000 1.212 509 D CA 0.110 54.019 54.000 -0.153 0.000 1.058 509 D CB 0.081 40.827 40.800 -0.089 0.000 1.098 509 D HN -0.151 nan 8.370 nan 0.000 0.509 510 K N 1.540 121.742 120.400 -0.329 0.000 2.362 510 K HA -0.057 4.279 4.320 0.026 0.000 0.200 510 K C 1.614 178.050 176.600 -0.273 0.000 1.046 510 K CA 0.651 56.579 56.287 -0.598 0.000 0.952 510 K CB 0.287 32.472 32.500 -0.526 0.000 0.753 510 K HN 0.405 nan 8.250 nan 0.000 0.466 511 E N -0.196 119.920 120.200 -0.140 0.000 2.075 511 E HA -0.025 4.341 4.350 0.026 0.000 0.190 511 E C 1.085 177.671 176.600 -0.024 0.000 0.969 511 E CA 0.598 56.961 56.400 -0.061 0.000 0.815 511 E CB 0.270 29.938 29.700 -0.053 0.000 0.776 511 E HN 0.283 nan 8.360 nan 0.000 0.457 512 N N 0.623 119.309 118.700 -0.023 0.000 2.415 512 N HA -0.045 4.711 4.740 0.026 0.000 0.176 512 N C 0.586 176.103 175.510 0.012 0.000 1.042 512 N CA 0.394 53.444 53.050 -0.000 0.000 0.902 512 N CB 0.397 38.889 38.487 0.008 0.000 0.986 512 N HN 0.036 nan 8.380 nan 0.000 0.447 513 S N 0.544 116.253 115.700 0.014 0.000 2.610 513 S HA 0.363 4.849 4.470 0.026 0.000 0.273 513 S C 0.263 174.842 174.600 -0.036 0.000 1.274 513 S CA -0.789 57.416 58.200 0.009 0.000 1.023 513 S CB 1.524 64.715 63.200 -0.015 0.000 0.962 513 S HN 0.051 nan 8.310 nan 0.000 0.523 514 M N 3.565 123.048 119.600 -0.196 0.000 2.238 514 M HA 0.323 4.819 4.480 0.026 0.000 0.350 514 M C -0.229 175.872 176.300 -0.332 0.000 1.321 514 M CA 0.125 55.195 55.300 -0.384 0.000 1.097 514 M CB -0.006 32.004 32.600 -0.984 0.000 1.713 514 M HN 0.853 nan 8.290 nan 0.000 0.455 515 S N 5.645 121.138 115.700 -0.344 0.000 2.536 515 S HA 0.797 5.283 4.470 0.026 0.000 0.298 515 S C -0.572 173.879 174.600 -0.247 0.000 1.083 515 S CA -1.065 56.869 58.200 -0.444 0.000 0.995 515 S CB 1.437 64.155 63.200 -0.803 0.000 1.058 515 S HN 0.879 nan 8.310 nan 0.000 0.488 516 I N 1.450 121.907 120.570 -0.187 0.000 2.474 516 I HA 0.543 4.729 4.170 0.026 0.000 0.294 516 I C -0.883 175.204 176.117 -0.050 0.000 1.005 516 I CA -0.390 60.864 61.300 -0.075 0.000 1.113 516 I CB 2.043 40.022 38.000 -0.034 0.000 1.289 516 I HN 0.745 nan 8.210 nan 0.000 0.436 517 S N 7.904 123.597 115.700 -0.012 0.000 2.437 517 S HA 0.652 5.137 4.470 0.026 0.000 0.305 517 S C -0.457 174.153 174.600 0.017 0.000 1.109 517 S CA -0.572 57.629 58.200 0.002 0.000 1.099 517 S CB 1.033 64.226 63.200 -0.012 0.000 1.004 517 S HN 0.529 nan 8.310 nan 0.000 0.475 518 I N 0.416 121.015 120.570 0.048 0.000 3.042 518 I HA 0.817 5.003 4.170 0.026 0.000 0.310 518 I C -1.636 174.521 176.117 0.067 0.000 1.117 518 I CA -1.410 59.917 61.300 0.046 0.000 1.003 518 I CB 1.846 39.891 38.000 0.073 0.000 1.228 518 I HN 0.479 nan 8.210 nan 0.000 0.443 519 L N 4.775 126.008 121.223 0.018 0.000 2.404 519 L HA 0.549 4.905 4.340 0.026 0.000 0.272 519 L C -1.690 175.266 176.870 0.144 0.000 0.980 519 L CA -0.430 54.441 54.840 0.052 0.000 0.836 519 L CB 1.650 43.672 42.059 -0.062 0.000 1.238 519 L HN 0.510 nan 8.230 nan 0.000 0.408 520 L N 4.350 125.696 121.223 0.205 0.000 2.265 520 L HA 0.464 4.820 4.340 0.026 0.000 0.289 520 L C -0.663 176.305 176.870 0.165 0.000 1.033 520 L CA 0.023 54.979 54.840 0.193 0.000 0.814 520 L CB 0.926 43.110 42.059 0.210 0.000 1.203 520 L HN 0.674 nan 8.230 nan 0.000 0.423 521 D N 2.461 122.952 120.400 0.153 0.000 2.405 521 D HA 0.257 4.912 4.640 0.026 0.000 0.264 521 D C -0.058 176.241 176.300 -0.001 0.000 1.240 521 D CA -0.248 53.795 54.000 0.073 0.000 0.893 521 D CB 0.783 41.637 40.800 0.089 0.000 1.198 521 D HN 0.384 nan 8.370 nan 0.000 0.514 526 P HA 0.603 nan 4.420 nan 0.000 0.287 526 P C -1.089 176.265 177.300 0.089 0.000 1.290 526 P CA -0.556 62.615 63.100 0.119 0.000 0.889 526 P CB 2.413 34.161 31.700 0.079 0.000 1.190 527 I N -1.130 119.495 120.570 0.092 0.000 2.714 527 I HA 0.577 4.763 4.170 0.026 0.000 0.290 527 I C -1.825 174.329 176.117 0.062 0.000 1.663 527 I CA -0.597 60.736 61.300 0.054 0.000 1.011 527 I CB 1.439 39.464 38.000 0.042 0.000 1.462 527 I HN 0.558 nan 8.210 nan 0.000 0.476 545 A N 0.763 123.563 122.820 -0.034 0.000 2.479 545 A HA 0.683 5.018 4.320 0.026 0.000 0.296 545 A C -1.181 176.421 177.584 0.030 0.000 1.121 545 A CA -0.339 51.697 52.037 -0.002 0.000 0.743 545 A CB 1.717 20.721 19.000 0.006 0.000 1.323 545 A HN 0.296 nan 8.150 nan 0.000 0.415 546 E N 0.820 121.037 120.200 0.027 0.000 2.257 546 E HA 0.317 4.683 4.350 0.026 0.000 0.278 546 E C -0.091 176.531 176.600 0.036 0.000 1.049 546 E CA 0.001 56.414 56.400 0.022 0.000 0.876 546 E CB 0.363 30.066 29.700 0.005 0.000 1.035 546 E HN 0.542 nan 8.360 nan 0.000 0.419 547 M N 6.107 125.705 119.600 -0.002 0.000 2.238 547 M HA 0.210 4.706 4.480 0.026 0.000 0.350 547 M C -1.969 174.260 176.300 -0.118 0.000 1.321 547 M CA -1.348 53.878 55.300 -0.123 0.000 1.097 547 M CB 0.557 32.937 32.600 -0.368 0.000 1.713 547 M HN 0.338 nan 8.290 nan 0.000 0.455 548 P HA 0.020 nan 4.420 nan 0.000 0.269 548 P C -0.396 176.849 177.300 -0.092 0.000 1.217 548 P CA 0.115 63.176 63.100 -0.063 0.000 0.783 548 P CB 0.382 32.065 31.700 -0.030 0.000 0.898 549 N N 1.300 119.965 118.700 -0.058 0.000 2.058 549 N HA -0.266 4.490 4.740 0.026 0.000 0.191 549 N C 1.595 177.067 175.510 -0.064 0.000 1.037 549 N CA 1.268 54.285 53.050 -0.056 0.000 0.848 549 N CB -0.202 38.264 38.487 -0.035 0.000 1.021 549 N HN 0.278 nan 8.380 nan 0.000 0.422 550 Q N -0.088 119.682 119.800 -0.050 0.000 2.297 550 Q HA 0.106 4.462 4.340 0.026 0.000 0.204 550 Q C 1.799 177.762 176.000 -0.063 0.000 0.962 550 Q CA 0.832 56.608 55.803 -0.046 0.000 0.879 550 Q CB 0.000 28.723 28.738 -0.026 0.000 0.947 550 Q HN 0.502 nan 8.270 nan 0.000 0.462 551 L N -0.422 120.744 121.223 -0.095 0.000 2.095 551 L HA -0.074 4.281 4.340 0.026 0.000 0.204 551 L C 2.459 179.214 176.870 -0.192 0.000 1.080 551 L CA 1.329 56.091 54.840 -0.131 0.000 0.759 551 L CB -0.524 41.428 42.059 -0.179 0.000 0.914 551 L HN 0.254 nan 8.230 nan 0.000 0.439 552 R N 0.969 121.333 120.500 -0.226 0.000 2.091 552 R HA -0.216 4.140 4.340 0.026 0.000 0.238 552 R C 2.173 178.396 176.300 -0.128 0.000 1.136 552 R CA 1.637 57.620 56.100 -0.195 0.000 0.959 552 R CB -0.249 29.956 30.300 -0.158 0.000 0.856 552 R HN 0.220 nan 8.270 nan 0.000 0.437 553 K N 0.372 120.715 120.400 -0.096 0.000 2.032 553 K HA -0.196 4.140 4.320 0.026 0.000 0.209 553 K C 2.339 178.898 176.600 -0.067 0.000 1.048 553 K CA 2.190 58.435 56.287 -0.071 0.000 0.927 553 K CB -0.085 32.384 32.500 -0.051 0.000 0.712 553 K HN 0.441 nan 8.250 nan 0.000 0.441 554 Q N 0.281 120.043 119.800 -0.064 0.000 2.170 554 Q HA -0.163 4.193 4.340 0.026 0.000 0.203 554 Q C 2.083 178.054 176.000 -0.048 0.000 0.976 554 Q CA 0.954 56.731 55.803 -0.043 0.000 0.858 554 Q CB -0.022 28.700 28.738 -0.026 0.000 0.907 554 Q HN 0.164 nan 8.270 nan 0.000 0.433 555 L N 0.958 122.134 121.223 -0.077 0.000 2.044 555 L HA -0.126 4.230 4.340 0.026 0.000 0.205 555 L C 1.789 178.596 176.870 -0.105 0.000 1.075 555 L CA 1.781 56.572 54.840 -0.080 0.000 0.747 555 L CB -0.204 41.787 42.059 -0.115 0.000 0.903 555 L HN 0.100 nan 8.230 nan 0.000 0.435 556 E N -0.462 119.658 120.200 -0.133 0.000 2.153 556 E HA -0.215 4.150 4.350 0.026 0.000 0.194 556 E C 2.116 178.657 176.600 -0.098 0.000 0.988 556 E CA 1.020 57.326 56.400 -0.155 0.000 0.811 556 E CB -0.248 29.369 29.700 -0.139 0.000 0.746 556 E HN 0.649 nan 8.360 nan 0.000 0.466 557 A N 1.121 123.901 122.820 -0.067 0.000 1.898 557 A HA -0.151 4.185 4.320 0.026 0.000 0.216 557 A C 2.153 179.717 177.584 -0.034 0.000 1.181 557 A CA 0.919 52.930 52.037 -0.044 0.000 0.620 557 A CB -0.484 18.497 19.000 -0.032 0.000 0.819 557 A HN 0.128 nan 8.150 nan 0.000 0.442 558 I N -0.288 120.263 120.570 -0.030 0.000 2.208 558 I HA -0.274 3.911 4.170 0.026 0.000 0.245 558 I C 2.263 178.372 176.117 -0.014 0.000 1.097 558 I CA 1.359 62.651 61.300 -0.014 0.000 1.363 558 I CB -0.205 37.793 38.000 -0.003 0.000 1.051 558 I HN 0.320 nan 8.210 nan 0.000 0.413 559 I N 0.467 121.014 120.570 -0.038 0.000 2.315 559 I HA -0.223 3.962 4.170 0.026 0.000 0.248 559 I C 2.141 178.248 176.117 -0.017 0.000 1.117 559 I CA 1.097 62.378 61.300 -0.031 0.000 1.404 559 I CB -0.322 37.619 38.000 -0.098 0.000 1.071 559 I HN 0.145 nan 8.210 nan 0.000 0.419 560 A N -0.156 122.645 122.820 -0.032 0.000 2.310 560 A HA 0.156 4.492 4.320 0.026 0.000 0.230 560 A C 0.745 178.321 177.584 -0.013 0.000 1.294 560 A CA 0.326 52.349 52.037 -0.023 0.000 0.898 560 A CB -0.590 18.390 19.000 -0.034 0.000 0.917 560 A HN 0.229 nan 8.150 nan 0.000 0.491 561 T N 0.639 115.191 114.554 -0.003 0.000 2.940 561 T HA 0.431 4.797 4.350 0.026 0.000 0.288 561 T C -0.251 174.455 174.700 0.009 0.000 1.033 561 T CA -0.388 61.712 62.100 -0.000 0.000 1.033 561 T CB 1.088 69.957 68.868 0.002 0.000 1.079 561 T HN 0.620 nan 8.240 nan 0.000 0.496 562 D N 1.958 122.361 120.400 0.005 0.000 2.360 562 D HA 0.195 4.851 4.640 0.026 0.000 0.242 562 D C -1.812 174.504 176.300 0.027 0.000 1.184 562 D CA -1.320 52.685 54.000 0.010 0.000 0.930 562 D CB 0.311 41.109 40.800 -0.003 0.000 1.161 562 D HN 0.106 nan 8.370 nan 0.000 0.447 563 P HA -0.054 nan 4.420 nan 0.000 0.222 563 P C 0.770 178.100 177.300 0.049 0.000 1.147 563 P CA 0.933 64.068 63.100 0.058 0.000 0.790 563 P CB 0.101 31.840 31.700 0.066 0.000 0.780 564 L N -1.879 119.364 121.223 0.034 0.000 2.653 564 L HA 0.162 4.518 4.340 0.026 0.000 0.231 564 L C 0.699 177.579 176.870 0.016 0.000 1.153 564 L CA -0.270 54.584 54.840 0.025 0.000 0.933 564 L CB -0.691 41.384 42.059 0.025 0.000 1.175 564 L HN -0.093 nan 8.230 nan 0.000 0.473 565 N N 1.763 120.474 118.700 0.019 0.000 2.411 565 N HA 0.188 4.944 4.740 0.026 0.000 0.259 565 N C -2.384 173.136 175.510 0.017 0.000 1.103 565 N CA -1.574 51.484 53.050 0.014 0.000 0.954 565 N CB 0.822 39.316 38.487 0.012 0.000 1.085 565 N HN -0.148 nan 8.380 nan 0.000 0.485 566 P HA 0.026 nan 4.420 nan 0.000 0.262 566 P C -0.385 176.925 177.300 0.017 0.000 1.199 566 P CA 0.146 63.253 63.100 0.013 0.000 0.763 566 P CB 0.349 32.055 31.700 0.010 0.000 0.790 567 L N 2.718 123.954 121.223 0.022 0.000 2.455 567 L HA 0.102 4.457 4.340 0.026 0.000 0.272 567 L C 1.261 178.143 176.870 0.019 0.000 1.174 567 L CA 0.327 55.182 54.840 0.025 0.000 0.869 567 L CB 0.015 42.094 42.059 0.033 0.000 1.130 567 L HN 0.348 nan 8.230 nan 0.000 0.474 568 T N 1.839 116.405 114.554 0.019 0.000 2.882 568 T HA 0.211 4.577 4.350 0.026 0.000 0.287 568 T C 1.239 175.950 174.700 0.017 0.000 1.014 568 T CA 0.133 62.243 62.100 0.016 0.000 1.049 568 T CB 1.688 70.566 68.868 0.016 0.000 1.001 568 T HN 0.758 nan 8.240 nan 0.000 0.525 569 A N 1.248 124.075 122.820 0.011 0.000 1.917 569 A HA -0.140 4.196 4.320 0.026 0.000 0.219 569 A C 2.162 179.756 177.584 0.017 0.000 1.182 569 A CA 1.833 53.875 52.037 0.008 0.000 0.633 569 A CB -0.620 18.381 19.000 0.001 0.000 0.819 569 A HN 0.942 nan 8.150 nan 0.000 0.448 570 E N -0.374 119.838 120.200 0.021 0.000 2.077 570 E HA -0.225 4.140 4.350 0.026 0.000 0.193 570 E C 1.449 178.078 176.600 0.048 0.000 0.989 570 E CA 1.400 57.819 56.400 0.032 0.000 0.800 570 E CB -0.157 29.560 29.700 0.028 0.000 0.746 570 E HN 0.572 nan 8.360 nan 0.000 0.452 571 D N 0.541 120.966 120.400 0.041 0.000 2.104 571 D HA -0.162 4.493 4.640 0.026 0.000 0.194 571 D C 1.866 178.204 176.300 0.063 0.000 0.994 571 D CA 1.167 55.196 54.000 0.047 0.000 0.830 571 D CB -0.139 40.682 40.800 0.035 0.000 0.959 571 D HN 0.129 nan 8.370 nan 0.000 0.452 572 K N 0.455 120.887 120.400 0.054 0.000 2.026 572 K HA -0.128 4.208 4.320 0.026 0.000 0.208 572 K C 2.128 178.791 176.600 0.105 0.000 1.048 572 K CA 1.051 57.374 56.287 0.061 0.000 0.929 572 K CB -0.106 32.408 32.500 0.024 0.000 0.713 572 K HN 0.247 nan 8.250 nan 0.000 0.439 573 E N 0.884 121.140 120.200 0.094 0.000 2.106 573 E HA -0.142 4.224 4.350 0.026 0.000 0.192 573 E C 2.080 178.789 176.600 0.181 0.000 0.984 573 E CA 0.541 57.019 56.400 0.131 0.000 0.806 573 E CB 0.018 29.758 29.700 0.066 0.000 0.750 573 E HN 0.201 nan 8.360 nan 0.000 0.458 574 L N 0.688 122.012 121.223 0.167 0.000 1.994 574 L HA -0.199 4.156 4.340 0.026 0.000 0.208 574 L C 2.252 179.268 176.870 0.243 0.000 1.071 574 L CA 1.098 56.084 54.840 0.242 0.000 0.745 574 L CB -0.291 41.878 42.059 0.184 0.000 0.892 574 L HN 0.244 nan 8.230 nan 0.000 0.431 575 L N -0.739 120.578 121.223 0.158 0.000 2.013 575 L HA -0.315 4.041 4.340 0.026 0.000 0.212 575 L C 2.265 179.188 176.870 0.088 0.000 1.073 575 L CA 1.908 56.811 54.840 0.104 0.000 0.753 575 L CB -1.594 40.506 42.059 0.068 0.000 0.890 575 L HN 0.528 nan 8.230 nan 0.000 0.432 576 W N -0.145 121.130 121.300 -0.042 0.000 2.379 576 W HA -0.222 4.449 4.660 0.018 0.000 0.307 576 W C 2.696 179.174 176.519 -0.068 0.000 1.200 576 W CA 1.710 58.999 57.345 -0.093 0.000 1.297 576 W CB -0.423 28.978 29.460 -0.098 0.000 1.140 576 W HN 0.384 nan 8.180 nan 0.000 0.507 577 H N -0.892 118.038 119.070 -0.233 0.000 2.389 577 H HA -0.137 4.429 4.556 0.018 0.000 0.299 577 H C 0.429 175.390 175.328 -0.612 0.000 1.081 577 H CA 1.315 57.089 56.048 -0.457 0.000 1.345 577 H CB -0.628 28.894 29.762 -0.400 0.000 1.393 577 H HN -0.012 nan 8.280 nan 0.000 0.520 578 F N 2.177 121.969 119.950 -0.264 0.000 2.986 578 F HA 0.198 4.728 4.527 0.006 0.000 0.297 578 F C 1.864 177.512 175.800 -0.254 0.000 1.210 578 F CA -0.535 57.306 58.000 -0.265 0.000 1.346 578 F CB 0.132 39.044 39.000 -0.147 0.000 1.007 578 F HN 0.158 nan 8.300 nan 0.000 0.512 579 R N -1.012 119.283 120.500 -0.341 0.000 2.105 579 R HA -0.227 4.128 4.340 0.026 0.000 0.239 579 R C 1.041 177.082 176.300 -0.432 0.000 1.135 579 R CA 1.780 57.591 56.100 -0.482 0.000 0.967 579 R CB -1.032 28.734 30.300 -0.889 0.000 0.861 579 R HN 0.343 nan 8.270 nan 0.000 0.442 580 Y N 1.369 121.556 120.300 -0.187 0.000 2.200 580 Y HA -0.173 4.391 4.550 0.024 0.000 0.290 580 Y C 2.655 178.539 175.900 -0.026 0.000 1.137 580 Y CA 1.606 59.643 58.100 -0.104 0.000 1.163 580 Y CB -0.164 38.235 38.460 -0.101 0.000 0.988 580 Y HN 0.197 nan 8.280 nan 0.000 0.518 581 E N 0.085 120.375 120.200 0.150 0.000 2.110 581 E HA -0.149 4.217 4.350 0.026 0.000 0.193 581 E C 2.137 178.833 176.600 0.159 0.000 0.988 581 E CA 1.686 58.166 56.400 0.133 0.000 0.804 581 E CB -0.256 29.502 29.700 0.096 0.000 0.745 581 E HN 0.224 nan 8.360 nan 0.000 0.458 582 S N -0.014 115.735 115.700 0.083 0.000 2.383 582 S HA -0.112 4.374 4.470 0.026 0.000 0.227 582 S C 1.699 176.370 174.600 0.119 0.000 1.026 582 S CA 0.882 59.131 58.200 0.082 0.000 0.981 582 S CB -0.322 62.846 63.200 -0.054 0.000 0.818 582 S HN 0.273 nan 8.310 nan 0.000 0.472 583 L N 1.773 123.000 121.223 0.007 0.000 2.265 583 L HA 0.012 4.368 4.340 0.026 0.000 0.215 583 L C 1.718 178.764 176.870 0.293 0.000 1.117 583 L CA 1.472 56.354 54.840 0.070 0.000 0.782 583 L CB -0.334 41.700 42.059 -0.040 0.000 0.914 583 L HN 0.127 nan 8.230 nan 0.000 0.441 584 K N -1.276 119.226 120.400 0.169 0.000 2.504 584 K HA -0.001 4.335 4.320 0.026 0.000 0.195 584 K C -0.158 176.350 176.600 -0.153 0.000 1.036 584 K CA 0.396 56.689 56.287 0.011 0.000 0.984 584 K CB -0.103 32.338 32.500 -0.099 0.000 0.788 584 K HN 0.401 nan 8.250 nan 0.000 0.488 585 H N 0.162 119.355 119.070 0.206 0.000 2.718 585 H HA 0.124 4.698 4.556 0.030 0.000 0.295 585 H C -2.109 173.352 175.328 0.222 0.000 1.051 585 H CA -2.117 54.025 56.048 0.157 0.000 1.260 585 H CB 1.601 31.431 29.762 0.115 0.000 1.403 585 H HN -0.106 nan 8.280 nan 0.000 0.488 586 P HA -0.175 nan 4.420 nan 0.000 0.216 586 P C 1.344 178.688 177.300 0.073 0.000 1.150 586 P CA 1.359 64.372 63.100 -0.146 0.000 0.843 586 P CB 0.412 31.994 31.700 -0.197 0.000 0.787 587 K N -0.807 119.677 120.400 0.140 0.000 2.362 587 K HA 0.021 4.357 4.320 0.026 0.000 0.200 587 K C 1.869 178.592 176.600 0.206 0.000 1.046 587 K CA 1.033 57.409 56.287 0.149 0.000 0.952 587 K CB -0.344 32.211 32.500 0.092 0.000 0.753 587 K HN 0.096 nan 8.250 nan 0.000 0.466 588 A N 0.223 123.217 122.820 0.291 0.000 2.167 588 A HA -0.075 4.261 4.320 0.026 0.000 0.214 588 A C 1.346 179.090 177.584 0.268 0.000 1.151 588 A CA 0.553 52.728 52.037 0.230 0.000 0.735 588 A CB -0.329 18.782 19.000 0.185 0.000 0.802 588 A HN 0.163 nan 8.150 nan 0.000 0.467 589 Y N 0.855 121.208 120.300 0.089 0.000 2.097 589 Y HA -0.124 4.442 4.550 0.026 0.000 0.282 589 Y C -0.181 175.791 175.900 0.120 0.000 1.152 589 Y CA 1.684 59.812 58.100 0.047 0.000 1.136 589 Y CB -1.848 36.675 38.460 0.104 0.000 0.975 589 Y HN 0.289 nan 8.280 nan 0.000 0.498 590 P HA -0.196 nan 4.420 nan 0.000 0.214 590 P C 1.237 178.772 177.300 0.392 0.000 1.163 590 P CA 2.235 65.532 63.100 0.328 0.000 0.889 590 P CB -0.054 31.802 31.700 0.260 0.000 0.790 591 K N -0.953 119.584 120.400 0.228 0.000 2.097 591 K HA -0.113 4.222 4.320 0.026 0.000 0.205 591 K C 2.138 178.797 176.600 0.099 0.000 1.050 591 K CA 0.904 57.286 56.287 0.158 0.000 0.938 591 K CB -0.848 31.713 32.500 0.101 0.000 0.718 591 K HN 0.045 nan 8.250 nan 0.000 0.442 592 L N 0.513 121.724 121.223 -0.020 0.000 2.017 592 L HA -0.106 4.250 4.340 0.026 0.000 0.208 592 L C 1.735 178.481 176.870 -0.206 0.000 1.073 592 L CA 1.703 56.418 54.840 -0.209 0.000 0.745 592 L CB -0.393 41.351 42.059 -0.525 0.000 0.894 592 L HN 0.060 nan 8.230 nan 0.000 0.432 593 F N -1.109 118.978 119.950 0.229 0.000 2.661 593 F HA -0.014 4.533 4.527 0.032 0.000 0.298 593 F C 2.410 178.513 175.800 0.504 0.000 1.137 593 F CA 0.733 58.964 58.000 0.385 0.000 1.454 593 F CB -0.284 39.004 39.000 0.480 0.000 1.103 593 F HN 0.291 nan 8.300 nan 0.000 0.577 594 S N -1.624 114.363 115.700 0.477 0.000 2.577 594 S HA 0.063 4.549 4.470 0.026 0.000 0.219 594 S C 1.174 175.857 174.600 0.137 0.000 0.962 594 S CA 0.022 58.389 58.200 0.278 0.000 0.921 594 S CB -0.171 63.129 63.200 0.166 0.000 0.789 594 S HN 0.067 nan 8.310 nan 0.000 0.497 595 S N 0.940 116.694 115.700 0.091 0.000 2.568 595 S HA 0.363 4.849 4.470 0.026 0.000 0.232 595 S C -0.068 174.435 174.600 -0.163 0.000 0.975 595 S CA -0.346 57.857 58.200 0.005 0.000 0.949 595 S CB 0.648 63.885 63.200 0.063 0.000 0.829 595 S HN 0.366 nan 8.310 nan 0.000 0.479 596 V N 2.480 122.226 119.914 -0.280 0.000 2.481 596 V HA 0.273 4.409 4.120 0.026 0.000 0.286 596 V C 0.090 175.737 176.094 -0.746 0.000 1.042 596 V CA -0.695 61.147 62.300 -0.763 0.000 0.928 596 V CB 1.512 32.668 31.823 -1.112 0.000 0.986 596 V HN 0.180 nan 8.190 nan 0.000 0.462 597 K N 4.498 124.431 120.400 -0.779 0.000 2.150 597 K HA 0.116 4.452 4.320 0.026 0.000 0.261 597 K C 0.110 176.421 176.600 -0.481 0.000 1.127 597 K CA 0.120 56.110 56.287 -0.494 0.000 0.989 597 K CB 0.214 32.458 32.500 -0.427 0.000 1.475 597 K HN 0.687 nan 8.250 nan 0.000 0.391 598 W N 0.889 122.033 121.300 -0.260 0.000 2.525 598 W HA -0.033 4.644 4.660 0.029 0.000 0.259 598 W C 1.788 178.104 176.519 -0.337 0.000 1.253 598 W CA 0.115 57.249 57.345 -0.352 0.000 1.262 598 W CB 0.319 29.436 29.460 -0.571 0.000 1.122 598 W HN 0.616 nan 8.180 nan 0.000 0.607 599 G N -0.228 108.524 108.800 -0.080 0.000 3.327 599 G HA2 0.071 4.046 3.960 0.026 0.000 0.240 599 G HA3 0.071 4.046 3.960 0.026 0.000 0.240 599 G C 0.154 174.991 174.900 -0.105 0.000 1.222 599 G CA -0.238 44.810 45.100 -0.086 0.000 0.871 599 G HN 0.125 nan 8.290 nan 0.000 0.525 600 Q N -0.224 119.487 119.800 -0.148 0.000 2.309 600 Q HA 0.176 4.532 4.340 0.026 0.000 0.270 600 Q C 0.821 176.732 176.000 -0.148 0.000 1.023 600 Q CA -0.580 55.137 55.803 -0.143 0.000 0.758 600 Q CB 2.000 30.631 28.738 -0.179 0.000 1.247 600 Q HN 0.273 nan 8.270 nan 0.000 0.455 601 Q N 2.711 122.448 119.800 -0.105 0.000 2.096 601 Q HA -0.232 4.124 4.340 0.026 0.000 0.204 601 Q C 0.763 176.693 176.000 -0.117 0.000 0.982 601 Q CA 2.218 57.960 55.803 -0.101 0.000 0.850 601 Q CB 0.218 28.917 28.738 -0.064 0.000 0.901 601 Q HN 0.661 nan 8.270 nan 0.000 0.422 602 E N -0.071 120.073 120.200 -0.093 0.000 2.150 602 E HA -0.123 4.242 4.350 0.026 0.000 0.193 602 E C 1.884 178.442 176.600 -0.070 0.000 0.985 602 E CA 0.945 57.306 56.400 -0.066 0.000 0.814 602 E CB -0.060 29.619 29.700 -0.035 0.000 0.752 602 E HN 0.425 nan 8.360 nan 0.000 0.466 603 I N 0.876 121.362 120.570 -0.141 0.000 2.286 603 I HA -0.172 4.014 4.170 0.026 0.000 0.245 603 I C 2.468 178.439 176.117 -0.243 0.000 1.104 603 I CA 0.813 61.987 61.300 -0.211 0.000 1.397 603 I CB -0.961 36.753 38.000 -0.476 0.000 1.072 603 I HN -0.026 nan 8.210 nan 0.000 0.417 604 V N 1.577 121.309 119.914 -0.303 0.000 2.332 604 V HA -0.275 3.861 4.120 0.026 0.000 0.248 604 V C 2.844 178.711 176.094 -0.378 0.000 1.055 604 V CA 1.839 63.931 62.300 -0.346 0.000 1.038 604 V CB -1.134 30.526 31.823 -0.271 0.000 0.651 604 V HN 0.448 nan 8.190 nan 0.000 0.450 605 A N -0.295 122.370 122.820 -0.259 0.000 1.877 605 A HA -0.239 4.097 4.320 0.026 0.000 0.216 605 A C 2.289 179.871 177.584 -0.004 0.000 1.186 605 A CA 1.970 53.904 52.037 -0.173 0.000 0.620 605 A CB -0.465 18.485 19.000 -0.083 0.000 0.822 605 A HN 0.524 nan 8.150 nan 0.000 0.443 606 K N -0.807 119.630 120.400 0.061 0.000 2.147 606 K HA -0.098 4.238 4.320 0.026 0.000 0.205 606 K C 1.984 178.702 176.600 0.197 0.000 1.049 606 K CA 1.690 58.069 56.287 0.154 0.000 0.936 606 K CB -0.295 32.357 32.500 0.254 0.000 0.722 606 K HN 0.512 nan 8.250 nan 0.000 0.446 607 T N 0.187 114.888 114.554 0.245 0.000 2.857 607 T HA -0.099 4.267 4.350 0.026 0.000 0.266 607 T C 1.571 176.517 174.700 0.411 0.000 1.048 607 T CA 1.014 63.308 62.100 0.324 0.000 1.139 607 T CB -0.269 68.735 68.868 0.227 0.000 0.874 607 T HN 0.305 nan 8.240 nan 0.000 0.455 608 Y N 1.630 122.000 120.300 0.116 0.000 2.242 608 Y HA -0.143 4.422 4.550 0.025 0.000 0.291 608 Y C 2.935 178.882 175.900 0.078 0.000 1.137 608 Y CA 0.433 58.590 58.100 0.094 0.000 1.181 608 Y CB -0.205 38.308 38.460 0.088 0.000 0.989 608 Y HN 0.268 nan 8.280 nan 0.000 0.527 609 Q N 0.046 119.995 119.800 0.248 0.000 2.170 609 Q HA -0.194 4.161 4.340 0.026 0.000 0.203 609 Q C 2.298 178.387 176.000 0.148 0.000 0.976 609 Q CA 1.000 56.904 55.803 0.167 0.000 0.858 609 Q CB -0.053 28.769 28.738 0.141 0.000 0.907 609 Q HN 0.533 nan 8.270 nan 0.000 0.433 610 L N 0.362 121.655 121.223 0.116 0.000 2.044 610 L HA -0.125 4.231 4.340 0.026 0.000 0.205 610 L C 1.906 178.818 176.870 0.070 0.000 1.075 610 L CA 1.175 56.025 54.840 0.015 0.000 0.747 610 L CB -0.080 41.915 42.059 -0.106 0.000 0.903 610 L HN 0.316 nan 8.230 nan 0.000 0.435 611 L N -0.558 120.728 121.223 0.105 0.000 2.552 611 L HA -0.038 4.318 4.340 0.026 0.000 0.227 611 L C 2.496 179.405 176.870 0.064 0.000 1.146 611 L CA 0.389 55.271 54.840 0.069 0.000 0.858 611 L CB -0.360 41.694 42.059 -0.008 0.000 0.969 611 L HN 0.233 nan 8.230 nan 0.000 0.451 612 A N 0.629 123.499 122.820 0.084 0.000 2.016 612 A HA -0.080 4.256 4.320 0.026 0.000 0.217 612 A C 1.502 179.140 177.584 0.091 0.000 1.162 612 A CA 0.442 52.526 52.037 0.078 0.000 0.662 612 A CB -0.189 18.861 19.000 0.085 0.000 0.812 612 A HN 0.416 nan 8.150 nan 0.000 0.450 613 R N -0.087 120.481 120.500 0.114 0.000 3.570 613 R HA 0.339 4.695 4.340 0.026 0.000 0.233 613 R C -0.035 176.355 176.300 0.150 0.000 1.492 613 R CA -0.323 55.851 56.100 0.123 0.000 1.504 613 R CB -0.215 30.168 30.300 0.138 0.000 1.314 613 R HN 0.286 nan 8.270 nan 0.000 0.687 614 R N 1.211 121.804 120.500 0.155 0.000 2.356 614 R HA 0.007 4.363 4.340 0.026 0.000 0.234 614 R C 0.639 177.084 176.300 0.243 0.000 0.929 614 R CA 0.172 56.408 56.100 0.227 0.000 1.084 614 R CB 0.277 30.706 30.300 0.214 0.000 1.105 614 R HN 0.618 nan 8.270 nan 0.000 0.515 615 E N -0.402 119.898 120.200 0.166 0.000 2.097 615 E HA -0.219 4.147 4.350 0.026 0.000 0.196 615 E C 1.591 178.264 176.600 0.120 0.000 1.000 615 E CA 1.529 58.002 56.400 0.122 0.000 0.804 615 E CB -0.156 29.593 29.700 0.081 0.000 0.740 615 E HN 0.097 nan 8.360 nan 0.000 0.454 616 V N 1.114 121.119 119.914 0.152 0.000 2.427 616 V HA -0.208 3.928 4.120 0.026 0.000 0.248 616 V C 2.045 178.207 176.094 0.113 0.000 1.051 616 V CA 1.594 63.961 62.300 0.112 0.000 1.048 616 V CB -0.803 31.096 31.823 0.125 0.000 0.666 616 V HN 0.502 nan 8.190 nan 0.000 0.456 617 W N 1.510 122.819 121.300 0.015 0.000 2.333 617 W HA -0.209 4.466 4.660 0.025 0.000 0.316 617 W C 2.017 178.504 176.519 -0.053 0.000 1.215 617 W CA 2.081 59.384 57.345 -0.070 0.000 1.278 617 W CB -0.255 29.228 29.460 0.039 0.000 1.154 617 W HN 0.334 nan 8.180 nan 0.000 0.486 618 D N -0.079 120.388 120.400 0.112 0.000 2.263 618 D HA -0.174 4.482 4.640 0.026 0.000 0.208 618 D C 1.891 178.136 176.300 -0.092 0.000 0.971 618 D CA 1.403 55.401 54.000 -0.002 0.000 0.867 618 D CB -0.365 40.489 40.800 0.090 0.000 0.929 618 D HN 0.432 nan 8.370 nan 0.000 0.492 619 Q N -0.200 119.546 119.800 -0.089 0.000 2.352 619 Q HA 0.085 4.441 4.340 0.026 0.000 0.212 619 Q C 0.437 176.352 176.000 -0.142 0.000 0.888 619 Q CA -0.159 55.590 55.803 -0.090 0.000 0.934 619 Q CB 0.663 29.373 28.738 -0.045 0.000 1.093 619 Q HN 0.116 nan 8.270 nan 0.000 0.523 620 S N 0.400 115.968 115.700 -0.220 0.000 2.572 620 S HA 0.467 4.953 4.470 0.026 0.000 0.279 620 S C 0.307 174.741 174.600 -0.276 0.000 1.341 620 S CA -0.602 57.443 58.200 -0.259 0.000 1.043 620 S CB 1.146 64.128 63.200 -0.364 0.000 0.887 620 S HN 0.245 nan 8.310 nan 0.000 0.516 621 A N 2.030 124.722 122.820 -0.213 0.000 2.445 621 A HA 0.417 4.752 4.320 0.026 0.000 0.242 621 A C 0.201 177.641 177.584 -0.240 0.000 1.075 621 A CA -0.636 51.289 52.037 -0.185 0.000 0.777 621 A CB -0.201 18.722 19.000 -0.128 0.000 1.013 621 A HN 1.072 nan 8.150 nan 0.000 0.493 622 L N 1.654 122.755 121.223 -0.203 0.000 2.513 622 L HA 0.207 4.563 4.340 0.026 0.000 0.272 622 L C -0.269 176.496 176.870 -0.175 0.000 1.187 622 L CA 0.570 55.282 54.840 -0.213 0.000 0.895 622 L CB 0.223 42.195 42.059 -0.146 0.000 1.147 622 L HN 0.647 nan 8.230 nan 0.000 0.483 623 D N 4.025 124.304 120.400 -0.201 0.000 2.454 623 D HA 0.153 4.809 4.640 0.026 0.000 0.247 623 D C 0.846 177.063 176.300 -0.138 0.000 1.129 623 D CA -0.378 53.536 54.000 -0.143 0.000 0.877 623 D CB 1.419 42.134 40.800 -0.142 0.000 1.082 623 D HN 0.392 nan 8.370 nan 0.000 0.537 624 V N 3.708 123.532 119.914 -0.151 0.000 2.407 624 V HA -0.107 4.029 4.120 0.026 0.000 0.248 624 V C 2.405 178.387 176.094 -0.186 0.000 1.055 624 V CA 2.252 64.404 62.300 -0.246 0.000 1.049 624 V CB -0.466 31.071 31.823 -0.477 0.000 0.662 624 V HN 0.682 nan 8.190 nan 0.000 0.455 625 G N -0.628 108.109 108.800 -0.104 0.000 2.421 625 G HA2 -0.219 3.757 3.960 0.026 0.000 0.216 625 G HA3 -0.219 3.757 3.960 0.026 0.000 0.216 625 G C 1.618 176.506 174.900 -0.019 0.000 1.171 625 G CA 0.840 45.913 45.100 -0.045 0.000 0.775 625 G HN 0.417 nan 8.290 nan 0.000 0.543 626 L N 0.673 121.888 121.223 -0.013 0.000 2.042 626 L HA -0.121 4.235 4.340 0.026 0.000 0.210 626 L C 2.913 179.817 176.870 0.057 0.000 1.076 626 L CA 2.149 57.011 54.840 0.037 0.000 0.749 626 L CB -0.621 41.459 42.059 0.036 0.000 0.893 626 L HN 0.242 nan 8.230 nan 0.000 0.432 627 T N -0.241 114.324 114.554 0.019 0.000 2.821 627 T HA -0.149 4.217 4.350 0.026 0.000 0.267 627 T C 1.951 176.637 174.700 -0.023 0.000 1.046 627 T CA 1.118 63.235 62.100 0.028 0.000 1.139 627 T CB -0.047 68.802 68.868 -0.033 0.000 0.871 627 T HN 0.192 nan 8.240 nan 0.000 0.454 628 M N 1.502 121.077 119.600 -0.042 0.000 2.213 628 M HA -0.037 4.459 4.480 0.026 0.000 0.263 628 M C 2.231 178.532 176.300 0.002 0.000 1.062 628 M CA 1.278 56.568 55.300 -0.017 0.000 1.105 628 M CB -1.202 31.392 32.600 -0.010 0.000 1.385 628 M HN 0.379 nan 8.290 nan 0.000 0.417 629 Q N 0.088 119.889 119.800 0.002 0.000 2.124 629 Q HA -0.104 4.252 4.340 0.026 0.000 0.202 629 Q C 2.056 178.014 176.000 -0.070 0.000 0.977 629 Q CA 1.069 56.888 55.803 0.027 0.000 0.850 629 Q CB -0.292 28.482 28.738 0.060 0.000 0.901 629 Q HN 0.490 nan 8.270 nan 0.000 0.429 630 L N 0.138 121.207 121.223 -0.257 0.000 2.465 630 L HA -0.075 4.281 4.340 0.026 0.000 0.224 630 L C 1.623 178.348 176.870 -0.242 0.000 1.145 630 L CA 0.474 54.952 54.840 -0.604 0.000 0.834 630 L CB 0.017 41.802 42.059 -0.455 0.000 0.944 630 L HN 0.216 nan 8.230 nan 0.000 0.451 631 L N -0.445 120.746 121.223 -0.053 0.000 2.667 631 L HA 0.095 4.450 4.340 0.026 0.000 0.232 631 L C 0.745 177.677 176.870 0.103 0.000 1.138 631 L CA -0.447 54.423 54.840 0.050 0.000 0.921 631 L CB -0.266 41.830 42.059 0.061 0.000 1.180 631 L HN 0.286 nan 8.230 nan 0.000 0.487 632 D N -0.633 119.772 120.400 0.008 0.000 2.469 632 D HA -0.047 4.608 4.640 0.026 0.000 0.278 632 D C 1.391 177.343 176.300 -0.581 0.000 1.231 632 D CA -0.278 53.481 54.000 -0.401 0.000 1.075 632 D CB 0.650 41.282 40.800 -0.280 0.000 1.121 632 D HN 0.122 nan 8.370 nan 0.000 0.571 633 C N -1.331 117.361 119.300 -1.015 0.000 2.491 633 C HA 0.188 4.663 4.460 0.026 0.000 0.277 633 C C 1.388 176.164 174.990 -0.357 0.000 1.455 633 C CA -0.190 58.449 59.018 -0.631 0.000 1.758 633 C CB -2.021 25.386 27.740 -0.555 0.000 1.745 633 C HN 0.479 nan 8.230 nan 0.000 0.558 634 N N -0.619 117.852 118.700 -0.382 0.000 2.398 634 N HA 0.231 4.987 4.740 0.026 0.000 0.188 634 N C -0.731 174.152 175.510 -1.045 0.000 1.122 634 N CA 0.389 53.056 53.050 -0.639 0.000 0.866 634 N CB 0.068 38.131 38.487 -0.706 0.000 0.970 634 N HN 0.544 nan 8.380 nan 0.000 0.462 635 F N -0.861 118.978 119.950 -0.185 0.000 2.499 635 F HA 0.389 4.930 4.527 0.024 0.000 0.333 635 F C 0.644 176.242 175.800 -0.337 0.000 1.138 635 F CA -0.848 57.012 58.000 -0.234 0.000 0.945 635 F CB 1.991 40.905 39.000 -0.142 0.000 1.181 635 F HN -0.195 nan 8.300 nan 0.000 0.435 636 S N 0.011 115.420 115.700 -0.486 0.000 2.523 636 S HA -0.005 4.481 4.470 0.026 0.000 0.217 636 S C -0.109 174.222 174.600 -0.449 0.000 0.996 636 S CA -0.282 57.577 58.200 -0.569 0.000 0.921 636 S CB -0.158 62.433 63.200 -1.014 0.000 0.829 636 S HN 0.679 nan 8.310 nan 0.000 0.495 637 D N 2.276 122.420 120.400 -0.426 0.000 2.348 637 D HA 0.076 4.732 4.640 0.026 0.000 0.253 637 D C 1.154 177.396 176.300 -0.096 0.000 1.161 637 D CA 0.054 53.917 54.000 -0.227 0.000 0.876 637 D CB 0.661 41.206 40.800 -0.425 0.000 1.160 637 D HN 0.141 nan 8.370 nan 0.000 0.459 638 E N 3.304 123.505 120.200 0.001 0.000 2.070 638 E HA -0.311 4.055 4.350 0.026 0.000 0.197 638 E C 0.899 177.456 176.600 -0.071 0.000 1.004 638 E CA 1.149 57.549 56.400 -0.000 0.000 0.805 638 E CB 0.126 29.855 29.700 0.049 0.000 0.744 638 E HN 0.546 nan 8.360 nan 0.000 0.451 639 N N 0.160 118.785 118.700 -0.125 0.000 2.216 639 N HA -0.118 4.637 4.740 0.026 0.000 0.183 639 N C 2.054 177.405 175.510 -0.264 0.000 1.017 639 N CA 1.116 54.018 53.050 -0.247 0.000 0.861 639 N CB -0.115 38.053 38.487 -0.532 0.000 0.986 639 N HN 0.080 nan 8.380 nan 0.000 0.428 640 V N 1.956 121.708 119.914 -0.271 0.000 2.287 640 V HA -0.208 3.928 4.120 0.026 0.000 0.248 640 V C 2.298 178.205 176.094 -0.312 0.000 1.053 640 V CA 1.613 63.660 62.300 -0.423 0.000 1.027 640 V CB -0.411 31.176 31.823 -0.393 0.000 0.646 640 V HN 0.266 nan 8.190 nan 0.000 0.447 641 R N -0.265 120.120 120.500 -0.191 0.000 2.189 641 R HA 0.031 4.387 4.340 0.026 0.000 0.218 641 R C 2.286 178.526 176.300 -0.100 0.000 1.074 641 R CA 1.112 57.135 56.100 -0.129 0.000 0.991 641 R CB -0.369 29.895 30.300 -0.061 0.000 0.883 641 R HN 0.544 nan 8.270 nan 0.000 0.457 642 A N 1.709 124.468 122.820 -0.102 0.000 1.930 642 A HA -0.061 4.275 4.320 0.026 0.000 0.215 642 A C 2.144 179.696 177.584 -0.053 0.000 1.176 642 A CA 0.779 52.777 52.037 -0.064 0.000 0.632 642 A CB -0.437 18.528 19.000 -0.057 0.000 0.819 642 A HN 0.426 nan 8.150 nan 0.000 0.445 643 I N -2.796 117.713 120.570 -0.101 0.000 2.493 643 I HA -0.052 4.134 4.170 0.026 0.000 0.254 643 I C 2.198 178.401 176.117 0.143 0.000 1.160 643 I CA 1.309 62.593 61.300 -0.026 0.000 1.445 643 I CB -0.344 37.480 38.000 -0.294 0.000 1.086 643 I HN 0.171 nan 8.210 nan 0.000 0.433 644 A N 1.683 124.514 122.820 0.018 0.000 1.855 644 A HA -0.055 4.281 4.320 0.026 0.000 0.215 644 A C 2.370 179.945 177.584 -0.014 0.000 1.191 644 A CA 1.932 54.015 52.037 0.076 0.000 0.613 644 A CB -1.099 17.882 19.000 -0.031 0.000 0.829 644 A HN 0.329 nan 8.150 nan 0.000 0.442 645 V N 0.709 120.575 119.914 -0.079 0.000 2.392 645 V HA -0.308 3.828 4.120 0.026 0.000 0.249 645 V C 2.742 178.723 176.094 -0.187 0.000 1.059 645 V CA 2.208 64.391 62.300 -0.194 0.000 1.051 645 V CB -0.857 30.887 31.823 -0.133 0.000 0.658 645 V HN 0.736 nan 8.190 nan 0.000 0.455 646 Q N 0.372 120.146 119.800 -0.042 0.000 2.061 646 Q HA -0.304 4.052 4.340 0.026 0.000 0.204 646 Q C 2.310 178.294 176.000 -0.027 0.000 0.984 646 Q CA 1.928 57.732 55.803 0.002 0.000 0.846 646 Q CB -0.109 28.681 28.738 0.085 0.000 0.902 646 Q HN 0.431 nan 8.270 nan 0.000 0.421 647 K N 0.690 121.087 120.400 -0.005 0.000 2.113 647 K HA -0.080 4.255 4.320 0.026 0.000 0.208 647 K C 2.089 178.605 176.600 -0.141 0.000 1.047 647 K CA 1.094 57.327 56.287 -0.090 0.000 0.928 647 K CB -0.506 31.946 32.500 -0.080 0.000 0.716 647 K HN 0.284 nan 8.250 nan 0.000 0.446 648 L N 0.811 121.893 121.223 -0.234 0.000 2.275 648 L HA -0.131 4.225 4.340 0.026 0.000 0.215 648 L C 1.866 178.640 176.870 -0.161 0.000 1.119 648 L CA 0.796 55.443 54.840 -0.322 0.000 0.790 648 L CB -0.408 41.190 42.059 -0.769 0.000 0.919 648 L HN 0.184 nan 8.230 nan 0.000 0.443 649 E N 0.143 120.281 120.200 -0.103 0.000 2.273 649 E HA -0.218 4.148 4.350 0.026 0.000 0.198 649 E C 2.183 178.865 176.600 0.137 0.000 1.002 649 E CA 1.633 58.114 56.400 0.135 0.000 0.828 649 E CB -0.166 29.588 29.700 0.092 0.000 0.747 649 E HN 0.561 nan 8.360 nan 0.000 0.491 650 S N -0.158 115.578 115.700 0.060 0.000 2.575 650 S HA 0.080 4.566 4.470 0.026 0.000 0.215 650 S C 0.941 175.588 174.600 0.077 0.000 0.966 650 S CA -0.312 57.920 58.200 0.053 0.000 0.911 650 S CB -0.209 62.992 63.200 0.001 0.000 0.780 650 S HN 0.038 nan 8.310 nan 0.000 0.514 651 L N 3.227 124.522 121.223 0.120 0.000 2.455 651 L HA 0.221 4.577 4.340 0.026 0.000 0.272 651 L C 0.739 177.709 176.870 0.167 0.000 1.174 651 L CA -0.402 54.532 54.840 0.158 0.000 0.869 651 L CB 0.404 42.602 42.059 0.231 0.000 1.130 651 L HN 0.472 nan 8.230 nan 0.000 0.474 652 E N 1.794 122.080 120.200 0.144 0.000 2.371 652 E HA 0.039 4.405 4.350 0.026 0.000 0.257 652 E C -0.211 176.479 176.600 0.151 0.000 1.134 652 E CA -0.830 55.648 56.400 0.131 0.000 0.919 652 E CB 0.794 30.558 29.700 0.107 0.000 1.025 652 E HN 0.442 nan 8.360 nan 0.000 0.438 653 D N 0.827 121.306 120.400 0.130 0.000 2.123 653 D HA -0.204 4.452 4.640 0.026 0.000 0.196 653 D C 1.309 177.684 176.300 0.126 0.000 0.992 653 D CA 1.541 55.611 54.000 0.116 0.000 0.833 653 D CB -0.445 40.419 40.800 0.107 0.000 0.954 653 D HN 0.619 nan 8.370 nan 0.000 0.455 654 D N 0.691 121.192 120.400 0.170 0.000 2.268 654 D HA -0.195 4.460 4.640 0.026 0.000 0.189 654 D C 1.394 177.783 176.300 0.148 0.000 1.010 654 D CA 1.510 55.623 54.000 0.189 0.000 0.862 654 D CB -0.070 40.847 40.800 0.195 0.000 0.943 654 D HN 0.100 nan 8.370 nan 0.000 0.451 655 D N -1.002 119.539 120.400 0.236 0.000 2.234 655 D HA -0.043 4.613 4.640 0.026 0.000 0.205 655 D C 2.240 178.750 176.300 0.350 0.000 0.962 655 D CA 0.187 54.402 54.000 0.359 0.000 0.855 655 D CB 0.180 41.193 40.800 0.356 0.000 0.951 655 D HN 0.164 nan 8.370 nan 0.000 0.500 656 V N 1.227 121.293 119.914 0.255 0.000 2.358 656 V HA -0.204 3.932 4.120 0.026 0.000 0.246 656 V C 2.650 178.835 176.094 0.152 0.000 1.047 656 V CA 1.044 63.493 62.300 0.249 0.000 1.035 656 V CB -0.353 31.572 31.823 0.170 0.000 0.658 656 V HN 0.174 nan 8.190 nan 0.000 0.452 657 L N -0.777 120.461 121.223 0.024 0.000 2.046 657 L HA -0.225 4.131 4.340 0.026 0.000 0.208 657 L C 2.491 179.274 176.870 -0.144 0.000 1.077 657 L CA 1.874 56.657 54.840 -0.095 0.000 0.747 657 L CB -0.734 41.198 42.059 -0.211 0.000 0.896 657 L HN 0.424 nan 8.230 nan 0.000 0.432 658 H N -2.101 116.898 119.070 -0.118 0.000 2.422 658 H HA -0.199 4.373 4.556 0.026 0.000 0.298 658 H C 1.054 176.075 175.328 -0.511 0.000 1.098 658 H CA 1.811 57.638 56.048 -0.369 0.000 1.315 658 H CB 0.041 29.451 29.762 -0.588 0.000 1.382 658 H HN 0.354 nan 8.280 nan 0.000 0.523 659 Y N -1.235 119.164 120.300 0.166 0.000 2.531 659 Y HA 0.083 4.649 4.550 0.027 0.000 0.249 659 Y C 1.552 177.521 175.900 0.115 0.000 1.168 659 Y CA -0.425 57.748 58.100 0.120 0.000 1.226 659 Y CB 0.554 39.090 38.460 0.126 0.000 1.177 659 Y HN 0.099 nan 8.280 nan 0.000 0.527 660 L N -0.004 121.341 121.223 0.203 0.000 2.056 660 L HA -0.167 4.189 4.340 0.026 0.000 0.207 660 L C 2.073 179.060 176.870 0.196 0.000 1.078 660 L CA 1.550 56.535 54.840 0.243 0.000 0.749 660 L CB -0.503 41.723 42.059 0.279 0.000 0.901 660 L HN 0.308 nan 8.230 nan 0.000 0.433 661 L N -0.820 120.412 121.223 0.015 0.000 2.056 661 L HA -0.200 4.156 4.340 0.026 0.000 0.207 661 L C 2.392 179.182 176.870 -0.134 0.000 1.078 661 L CA 1.698 56.347 54.840 -0.319 0.000 0.749 661 L CB -0.617 41.040 42.059 -0.671 0.000 0.901 661 L HN 0.330 nan 8.230 nan 0.000 0.433 662 Q N -0.740 119.047 119.800 -0.022 0.000 2.119 662 Q HA -0.079 4.277 4.340 0.026 0.000 0.201 662 Q C 2.198 178.251 176.000 0.088 0.000 0.972 662 Q CA 1.626 57.451 55.803 0.037 0.000 0.847 662 Q CB -0.314 28.483 28.738 0.098 0.000 0.903 662 Q HN 0.493 nan 8.270 nan 0.000 0.433 663 L N -0.649 120.658 121.223 0.142 0.000 2.046 663 L HA -0.167 4.189 4.340 0.026 0.000 0.208 663 L C 2.120 179.074 176.870 0.139 0.000 1.077 663 L CA 0.720 55.660 54.840 0.166 0.000 0.747 663 L CB -0.544 41.661 42.059 0.243 0.000 0.896 663 L HN 0.116 nan 8.230 nan 0.000 0.432 664 V N -0.558 119.429 119.914 0.121 0.000 2.332 664 V HA -0.286 3.850 4.120 0.026 0.000 0.248 664 V C 2.590 178.733 176.094 0.082 0.000 1.055 664 V CA 1.579 63.950 62.300 0.118 0.000 1.038 664 V CB -0.500 31.369 31.823 0.076 0.000 0.651 664 V HN 0.487 nan 8.190 nan 0.000 0.450 665 Q N -0.284 119.497 119.800 -0.030 0.000 2.167 665 Q HA -0.067 4.289 4.340 0.026 0.000 0.202 665 Q C 2.351 178.224 176.000 -0.211 0.000 0.970 665 Q CA 1.664 57.395 55.803 -0.120 0.000 0.855 665 Q CB -0.602 28.053 28.738 -0.139 0.000 0.911 665 Q HN 0.664 nan 8.270 nan 0.000 0.438 666 A N 0.325 123.107 122.820 -0.064 0.000 2.172 666 A HA -0.053 4.283 4.320 0.026 0.000 0.216 666 A C 2.276 179.803 177.584 -0.095 0.000 1.154 666 A CA 0.700 52.734 52.037 -0.005 0.000 0.701 666 A CB -0.339 18.779 19.000 0.196 0.000 0.789 666 A HN 0.186 nan 8.150 nan 0.000 0.465 667 V N 0.252 120.112 119.914 -0.090 0.000 2.594 667 V HA -0.259 3.876 4.120 0.026 0.000 0.253 667 V C 2.201 178.059 176.094 -0.393 0.000 1.069 667 V CA 2.122 64.334 62.300 -0.146 0.000 1.082 667 V CB -0.652 31.128 31.823 -0.071 0.000 0.680 667 V HN 0.577 nan 8.190 nan 0.000 0.469 668 K N -0.346 119.666 120.400 -0.646 0.000 2.360 668 K HA -0.091 4.244 4.320 0.026 0.000 0.201 668 K C 1.527 177.755 176.600 -0.620 0.000 1.046 668 K CA 1.372 57.031 56.287 -1.046 0.000 0.945 668 K CB -0.211 31.506 32.500 -1.305 0.000 0.750 668 K HN 0.534 nan 8.250 nan 0.000 0.464 669 F N 1.185 121.043 119.950 -0.153 0.000 2.727 669 F HA 0.108 4.652 4.527 0.028 0.000 0.302 669 F C 0.517 176.262 175.800 -0.092 0.000 1.097 669 F CA -0.552 57.394 58.000 -0.090 0.000 1.330 669 F CB 0.311 39.276 39.000 -0.058 0.000 1.084 669 F HN -0.211 nan 8.300 nan 0.000 0.578 670 E N 2.593 122.805 120.200 0.020 0.000 2.376 670 E HA 0.024 4.390 4.350 0.026 0.000 0.266 670 E C -1.495 175.050 176.600 -0.092 0.000 1.009 670 E CA -1.466 54.924 56.400 -0.016 0.000 0.902 670 E CB 0.556 30.246 29.700 -0.017 0.000 0.972 670 E HN 0.064 nan 8.360 nan 0.000 0.439 671 P HA -0.134 nan 4.420 nan 0.000 0.216 671 P C -0.191 176.730 177.300 -0.633 0.000 1.150 671 P CA 1.477 64.331 63.100 -0.409 0.000 0.837 671 P CB 0.118 31.520 31.700 -0.496 0.000 0.786 672 Y N -2.478 117.734 120.300 -0.146 0.000 2.509 672 Y HA 0.277 4.843 4.550 0.026 0.000 0.341 672 Y C 2.140 177.946 175.900 -0.158 0.000 1.038 672 Y CA -0.803 57.177 58.100 -0.200 0.000 1.089 672 Y CB 0.789 39.184 38.460 -0.108 0.000 1.241 672 Y HN -0.114 nan 8.280 nan 0.000 0.468 673 H N -0.502 118.633 119.070 0.108 0.000 2.387 673 H HA -0.104 4.468 4.556 0.027 0.000 0.299 673 H C -0.026 175.322 175.328 0.032 0.000 1.090 673 H CA 1.279 57.339 56.048 0.020 0.000 1.332 673 H CB 0.106 29.866 29.762 -0.003 0.000 1.386 673 H HN 0.527 nan 8.280 nan 0.000 0.516 674 D N 1.512 122.029 120.400 0.194 0.000 2.380 674 D HA 0.157 4.813 4.640 0.026 0.000 0.230 674 D C -0.333 176.028 176.300 0.103 0.000 1.154 674 D CA -0.163 53.908 54.000 0.119 0.000 0.859 674 D CB 0.540 41.403 40.800 0.105 0.000 1.045 674 D HN 0.241 nan 8.370 nan 0.000 0.495 675 S N 1.501 117.253 115.700 0.086 0.000 2.632 675 S HA 0.677 5.162 4.470 0.026 0.000 0.289 675 S C 1.137 175.783 174.600 0.076 0.000 1.115 675 S CA -0.405 57.843 58.200 0.079 0.000 0.889 675 S CB 1.562 64.807 63.200 0.075 0.000 1.116 675 S HN 0.246 nan 8.310 nan 0.000 0.486 676 A N 0.416 123.276 122.820 0.067 0.000 1.978 676 A HA -0.051 4.285 4.320 0.026 0.000 0.220 676 A C 1.931 179.583 177.584 0.114 0.000 1.170 676 A CA 1.799 53.881 52.037 0.074 0.000 0.636 676 A CB -0.932 18.093 19.000 0.040 0.000 0.810 676 A HN 0.953 nan 8.150 nan 0.000 0.448 677 L N -0.692 120.593 121.223 0.105 0.000 2.095 677 L HA 0.121 4.476 4.340 0.026 0.000 0.204 677 L C 2.626 179.610 176.870 0.191 0.000 1.080 677 L CA 1.935 56.866 54.840 0.152 0.000 0.759 677 L CB -0.754 41.370 42.059 0.108 0.000 0.914 677 L HN 0.299 nan 8.230 nan 0.000 0.439 678 A N -0.160 122.737 122.820 0.128 0.000 1.908 678 A HA -0.226 4.110 4.320 0.026 0.000 0.218 678 A C 2.429 180.085 177.584 0.119 0.000 1.181 678 A CA 1.957 54.059 52.037 0.110 0.000 0.627 678 A CB -0.521 18.524 19.000 0.074 0.000 0.818 678 A HN 0.518 nan 8.150 nan 0.000 0.445 679 R N -2.245 118.331 120.500 0.126 0.000 2.093 679 R HA 0.017 4.372 4.340 0.026 0.000 0.224 679 R C 1.973 178.366 176.300 0.154 0.000 1.101 679 R CA 1.139 57.307 56.100 0.114 0.000 0.979 679 R CB -0.447 29.910 30.300 0.095 0.000 0.877 679 R HN 0.560 nan 8.270 nan 0.000 0.441 680 F N 1.864 121.845 119.950 0.051 0.000 2.091 680 F HA -0.219 4.325 4.527 0.027 0.000 0.299 680 F C 1.759 177.599 175.800 0.067 0.000 1.103 680 F CA 1.563 59.598 58.000 0.058 0.000 1.228 680 F CB -0.289 38.746 39.000 0.058 0.000 0.984 680 F HN -0.104 nan 8.300 nan 0.000 0.477 681 L N -0.477 120.754 121.223 0.012 0.000 2.056 681 L HA -0.223 4.133 4.340 0.026 0.000 0.207 681 L C 2.646 179.464 176.870 -0.087 0.000 1.078 681 L CA 0.979 55.760 54.840 -0.097 0.000 0.749 681 L CB -0.821 41.273 42.059 0.059 0.000 0.901 681 L HN 0.272 nan 8.230 nan 0.000 0.433 682 L N 0.324 121.549 121.223 0.003 0.000 1.989 682 L HA -0.304 4.052 4.340 0.026 0.000 0.211 682 L C 2.769 179.659 176.870 0.033 0.000 1.071 682 L CA 1.872 56.744 54.840 0.053 0.000 0.749 682 L CB -0.271 41.832 42.059 0.073 0.000 0.890 682 L HN 0.316 nan 8.230 nan 0.000 0.431 683 K N -0.739 119.649 120.400 -0.020 0.000 2.026 683 K HA -0.200 4.136 4.320 0.026 0.000 0.208 683 K C 2.198 178.755 176.600 -0.071 0.000 1.048 683 K CA 1.168 57.438 56.287 -0.028 0.000 0.929 683 K CB 0.042 32.534 32.500 -0.013 0.000 0.713 683 K HN 0.154 nan 8.250 nan 0.000 0.439 684 R N -0.105 120.266 120.500 -0.215 0.000 2.115 684 R HA -0.005 4.351 4.340 0.026 0.000 0.226 684 R C 2.343 178.599 176.300 -0.074 0.000 1.100 684 R CA 1.226 57.199 56.100 -0.211 0.000 0.980 684 R CB -1.056 28.957 30.300 -0.478 0.000 0.875 684 R HN 0.447 nan 8.270 nan 0.000 0.445 685 G N 1.111 109.873 108.800 -0.063 0.000 2.421 685 G HA2 -0.212 3.763 3.960 0.026 0.000 0.216 685 G HA3 -0.212 3.763 3.960 0.026 0.000 0.216 685 G C 1.536 176.575 174.900 0.232 0.000 1.171 685 G CA 0.391 45.487 45.100 -0.007 0.000 0.775 685 G HN 0.229 nan 8.290 nan 0.000 0.543 686 L N -0.250 121.121 121.223 0.246 0.000 2.201 686 L HA 0.080 4.435 4.340 0.026 0.000 0.212 686 L C 2.840 179.789 176.870 0.132 0.000 1.105 686 L CA 0.682 55.660 54.840 0.231 0.000 0.775 686 L CB -0.208 41.913 42.059 0.102 0.000 0.913 686 L HN 0.177 nan 8.230 nan 0.000 0.440 687 R N 0.136 120.702 120.500 0.110 0.000 2.153 687 R HA -0.040 4.316 4.340 0.026 0.000 0.218 687 R C 0.604 177.058 176.300 0.257 0.000 1.072 687 R CA 0.651 56.815 56.100 0.107 0.000 0.990 687 R CB 0.267 30.602 30.300 0.057 0.000 0.889 687 R HN 0.236 nan 8.270 nan 0.000 0.452 688 N N 0.287 119.145 118.700 0.263 0.000 2.480 688 N HA 0.065 4.820 4.740 0.026 0.000 0.289 688 N C -0.365 175.241 175.510 0.159 0.000 1.073 688 N CA -0.215 52.964 53.050 0.215 0.000 0.885 688 N CB 1.592 40.150 38.487 0.119 0.000 1.421 688 N HN -0.041 nan 8.380 nan 0.000 0.503 689 K N 1.667 122.075 120.400 0.013 0.000 2.127 689 K HA -0.188 4.147 4.320 0.026 0.000 0.208 689 K C 1.729 178.255 176.600 -0.124 0.000 1.047 689 K CA 1.317 57.505 56.287 -0.166 0.000 0.927 689 K CB 0.191 32.347 32.500 -0.573 0.000 0.716 689 K HN 0.502 nan 8.250 nan 0.000 0.450 690 R N 0.945 121.380 120.500 -0.109 0.000 2.070 690 R HA -0.078 4.277 4.340 0.026 0.000 0.233 690 R C 2.313 178.652 176.300 0.065 0.000 1.137 690 R CA 1.318 57.370 56.100 -0.079 0.000 0.945 690 R CB -0.219 29.975 30.300 -0.177 0.000 0.845 690 R HN 0.145 nan 8.270 nan 0.000 0.430 691 I N -0.084 120.512 120.570 0.043 0.000 2.286 691 I HA -0.201 3.984 4.170 0.026 0.000 0.248 691 I C 2.442 178.552 176.117 -0.011 0.000 1.115 691 I CA 1.416 62.744 61.300 0.047 0.000 1.392 691 I CB -0.573 37.432 38.000 0.009 0.000 1.065 691 I HN 0.397 nan 8.210 nan 0.000 0.418 692 G N -0.133 108.666 108.800 -0.002 0.000 2.459 692 G HA2 -0.361 3.615 3.960 0.026 0.000 0.217 692 G HA3 -0.361 3.615 3.960 0.026 0.000 0.217 692 G C 1.473 176.334 174.900 -0.065 0.000 1.183 692 G CA 1.378 46.395 45.100 -0.138 0.000 0.776 692 G HN 0.440 nan 8.290 nan 0.000 0.552 693 H N -0.119 118.966 119.070 0.025 0.000 2.319 693 H HA -0.087 4.484 4.556 0.026 0.000 0.297 693 H C 2.224 177.485 175.328 -0.110 0.000 1.097 693 H CA 2.076 58.145 56.048 0.035 0.000 1.285 693 H CB -0.349 29.258 29.762 -0.257 0.000 1.368 693 H HN 0.382 nan 8.280 nan 0.000 0.495 694 F N -0.806 119.081 119.950 -0.107 0.000 2.206 694 F HA -0.078 4.465 4.527 0.027 0.000 0.298 694 F C 2.341 177.694 175.800 -0.745 0.000 1.090 694 F CA 0.527 58.215 58.000 -0.521 0.000 1.323 694 F CB -0.252 38.398 39.000 -0.584 0.000 1.028 694 F HN 0.221 nan 8.300 nan 0.000 0.492 695 L N -0.193 120.864 121.223 -0.275 0.000 2.079 695 L HA -0.251 4.105 4.340 0.026 0.000 0.210 695 L C 2.133 178.829 176.870 -0.290 0.000 1.081 695 L CA 1.680 56.371 54.840 -0.247 0.000 0.752 695 L CB -1.093 40.760 42.059 -0.343 0.000 0.896 695 L HN 0.210 nan 8.230 nan 0.000 0.433 696 F N -1.203 118.407 119.950 -0.567 0.000 2.075 696 F HA -0.225 4.317 4.527 0.026 0.000 0.297 696 F C 1.862 177.287 175.800 -0.625 0.000 1.113 696 F CA 1.803 59.378 58.000 -0.707 0.000 1.218 696 F CB -0.579 37.724 39.000 -1.163 0.000 0.984 696 F HN 0.098 nan 8.300 nan 0.000 0.472 697 W N -0.329 120.816 121.300 -0.259 0.000 2.436 697 W HA -0.058 4.617 4.660 0.026 0.000 0.284 697 W C 2.367 178.863 176.519 -0.040 0.000 1.225 697 W CA 0.989 58.220 57.345 -0.190 0.000 1.271 697 W CB -0.695 28.717 29.460 -0.081 0.000 1.114 697 W HN 0.029 nan 8.180 nan 0.000 0.559 698 F N -0.148 119.837 119.950 0.058 0.000 2.113 698 F HA -0.201 4.342 4.527 0.027 0.000 0.297 698 F C 2.200 177.864 175.800 -0.227 0.000 1.103 698 F CA 0.563 58.538 58.000 -0.041 0.000 1.248 698 F CB -0.858 38.131 39.000 -0.019 0.000 0.999 698 F HN -0.232 nan 8.300 nan 0.000 0.475 699 L N 0.062 121.225 121.223 -0.100 0.000 2.012 699 L HA -0.249 4.107 4.340 0.026 0.000 0.210 699 L C 2.574 179.254 176.870 -0.318 0.000 1.073 699 L CA 1.378 56.053 54.840 -0.275 0.000 0.748 699 L CB -0.627 41.311 42.059 -0.201 0.000 0.891 699 L HN 0.095 nan 8.230 nan 0.000 0.431 700 R N -0.593 119.670 120.500 -0.395 0.000 2.115 700 R HA -0.155 4.201 4.340 0.026 0.000 0.230 700 R C 2.568 178.773 176.300 -0.158 0.000 1.111 700 R CA 1.325 57.189 56.100 -0.394 0.000 0.976 700 R CB -0.103 29.744 30.300 -0.756 0.000 0.870 700 R HN 0.204 nan 8.270 nan 0.000 0.445 701 S N 0.325 115.988 115.700 -0.061 0.000 2.370 701 S HA -0.137 4.349 4.470 0.026 0.000 0.226 701 S C 1.581 176.143 174.600 -0.062 0.000 1.033 701 S CA 1.278 59.486 58.200 0.012 0.000 1.011 701 S CB -0.043 63.199 63.200 0.069 0.000 0.852 701 S HN 0.359 nan 8.310 nan 0.000 0.457 702 E N 0.727 120.816 120.200 -0.185 0.000 2.076 702 E HA 0.018 4.384 4.350 0.026 0.000 0.190 702 E C 2.120 178.668 176.600 -0.086 0.000 0.979 702 E CA 0.793 57.064 56.400 -0.215 0.000 0.807 702 E CB -0.460 28.872 29.700 -0.612 0.000 0.761 702 E HN 0.580 nan 8.360 nan 0.000 0.454 703 I N 1.371 121.880 120.570 -0.101 0.000 2.264 703 I HA -0.251 3.934 4.170 0.026 0.000 0.248 703 I C 2.259 178.376 176.117 -0.000 0.000 1.111 703 I CA 1.303 62.579 61.300 -0.039 0.000 1.382 703 I CB -0.182 37.778 38.000 -0.067 0.000 1.060 703 I HN -0.016 nan 8.210 nan 0.000 0.418 704 A N -0.864 121.958 122.820 0.003 0.000 2.208 704 A HA -0.047 4.289 4.320 0.026 0.000 0.209 704 A C 2.073 179.696 177.584 0.064 0.000 1.161 704 A CA 0.870 52.936 52.037 0.048 0.000 0.782 704 A CB -0.086 18.948 19.000 0.058 0.000 0.816 704 A HN 0.503 nan 8.150 nan 0.000 0.477 705 Q N -0.973 118.858 119.800 0.052 0.000 2.384 705 Q HA 0.098 4.454 4.340 0.026 0.000 0.264 705 Q C 0.258 176.306 176.000 0.080 0.000 0.825 705 Q CA 0.518 56.360 55.803 0.064 0.000 0.984 705 Q CB 0.618 29.383 28.738 0.046 0.000 1.183 705 Q HN 0.571 nan 8.270 nan 0.000 0.537 706 S N 0.715 116.466 115.700 0.085 0.000 2.422 706 S HA 0.330 4.816 4.470 0.026 0.000 0.308 706 S C 0.713 175.384 174.600 0.119 0.000 1.097 706 S CA -0.774 57.505 58.200 0.131 0.000 1.099 706 S CB 1.275 64.575 63.200 0.167 0.000 0.976 706 S HN 0.141 nan 8.310 nan 0.000 0.471 707 R N 2.166 122.736 120.500 0.118 0.000 2.127 707 R HA -0.131 4.225 4.340 0.026 0.000 0.238 707 R C 1.072 177.350 176.300 -0.038 0.000 1.134 707 R CA 1.744 57.903 56.100 0.099 0.000 0.975 707 R CB -0.762 29.681 30.300 0.240 0.000 0.865 707 R HN 0.795 nan 8.270 nan 0.000 0.447 708 H N -1.255 117.591 119.070 -0.374 0.000 2.423 708 H HA -0.082 4.490 4.556 0.026 0.000 0.297 708 H C 0.684 175.595 175.328 -0.694 0.000 1.075 708 H CA 1.391 56.974 56.048 -0.776 0.000 1.342 708 H CB -0.004 29.177 29.762 -0.967 0.000 1.395 708 H HN 0.276 nan 8.280 nan 0.000 0.530 709 Y N -0.009 120.329 120.300 0.064 0.000 2.626 709 Y HA 0.049 4.615 4.550 0.026 0.000 0.248 709 Y C 1.818 177.748 175.900 0.050 0.000 1.147 709 Y CA -0.399 57.722 58.100 0.035 0.000 1.219 709 Y CB 0.525 39.067 38.460 0.137 0.000 1.279 709 Y HN 0.229 nan 8.280 nan 0.000 0.541 710 Q N 0.221 120.067 119.800 0.077 0.000 2.170 710 Q HA -0.221 4.134 4.340 0.026 0.000 0.203 710 Q C 1.159 176.966 176.000 -0.321 0.000 0.976 710 Q CA 1.735 57.488 55.803 -0.083 0.000 0.858 710 Q CB -0.218 28.388 28.738 -0.220 0.000 0.907 710 Q HN 0.536 nan 8.270 nan 0.000 0.433 711 Q N 0.730 120.318 119.800 -0.353 0.000 2.046 711 Q HA -0.123 4.233 4.340 0.026 0.000 0.200 711 Q C 2.215 178.047 176.000 -0.281 0.000 0.975 711 Q CA 1.565 57.141 55.803 -0.378 0.000 0.836 711 Q CB -0.115 28.478 28.738 -0.241 0.000 0.896 711 Q HN 0.400 nan 8.270 nan 0.000 0.428 712 R N 0.279 120.628 120.500 -0.251 0.000 2.070 712 R HA -0.145 4.211 4.340 0.026 0.000 0.233 712 R C 1.912 178.088 176.300 -0.206 0.000 1.137 712 R CA 1.564 57.492 56.100 -0.288 0.000 0.945 712 R CB -0.292 29.892 30.300 -0.195 0.000 0.845 712 R HN 0.202 nan 8.270 nan 0.000 0.430 713 F N 0.493 120.405 119.950 -0.063 0.000 2.234 713 F HA -0.064 4.478 4.527 0.026 0.000 0.299 713 F C 2.520 178.263 175.800 -0.095 0.000 1.087 713 F CA 0.708 58.665 58.000 -0.072 0.000 1.340 713 F CB -0.145 38.811 39.000 -0.074 0.000 1.031 713 F HN 0.249 nan 8.300 nan 0.000 0.500 714 A N -0.381 122.461 122.820 0.037 0.000 1.969 714 A HA -0.095 4.241 4.320 0.026 0.000 0.218 714 A C 2.239 179.839 177.584 0.026 0.000 1.169 714 A CA 1.438 53.481 52.037 0.010 0.000 0.635 714 A CB -0.997 18.005 19.000 0.004 0.000 0.810 714 A HN 0.183 nan 8.150 nan 0.000 0.445 715 V N -0.089 119.822 119.914 -0.004 0.000 2.548 715 V HA -0.192 3.944 4.120 0.026 0.000 0.249 715 V C 2.307 178.420 176.094 0.031 0.000 1.055 715 V CA 1.736 64.039 62.300 0.005 0.000 1.065 715 V CB -0.500 31.291 31.823 -0.053 0.000 0.681 715 V HN 0.568 nan 8.190 nan 0.000 0.462 716 I N -0.882 119.712 120.570 0.040 0.000 2.277 716 I HA -0.185 4.000 4.170 0.026 0.000 0.243 716 I C 2.315 178.489 176.117 0.095 0.000 1.094 716 I CA 1.231 62.575 61.300 0.072 0.000 1.393 716 I CB -0.205 37.853 38.000 0.097 0.000 1.078 716 I HN 0.232 nan 8.210 nan 0.000 0.417 717 L N 0.737 122.002 121.223 0.071 0.000 2.079 717 L HA -0.249 4.107 4.340 0.026 0.000 0.210 717 L C 2.599 179.526 176.870 0.094 0.000 1.081 717 L CA 1.736 56.609 54.840 0.054 0.000 0.752 717 L CB -0.361 41.655 42.059 -0.072 0.000 0.896 717 L HN 0.380 nan 8.230 nan 0.000 0.433 718 E N -0.200 120.036 120.200 0.060 0.000 2.072 718 E HA -0.217 4.149 4.350 0.026 0.000 0.191 718 E C 2.056 178.704 176.600 0.079 0.000 0.985 718 E CA 1.066 57.494 56.400 0.047 0.000 0.801 718 E CB 0.080 29.804 29.700 0.041 0.000 0.750 718 E HN 0.546 nan 8.360 nan 0.000 0.452 719 A N 0.579 123.458 122.820 0.100 0.000 1.933 719 A HA -0.215 4.120 4.320 0.026 0.000 0.218 719 A C 2.039 179.697 177.584 0.125 0.000 1.175 719 A CA 1.524 53.623 52.037 0.103 0.000 0.628 719 A CB -0.900 18.144 19.000 0.074 0.000 0.814 719 A HN 0.555 nan 8.150 nan 0.000 0.444 720 Y N 0.436 120.765 120.300 0.050 0.000 2.114 720 Y HA -0.133 4.433 4.550 0.026 0.000 0.284 720 Y C 1.887 177.848 175.900 0.101 0.000 1.143 720 Y CA 1.828 59.966 58.100 0.065 0.000 1.135 720 Y CB -0.481 38.010 38.460 0.051 0.000 0.980 720 Y HN 0.196 nan 8.280 nan 0.000 0.499 721 L N -0.145 121.003 121.223 -0.125 0.000 2.191 721 L HA -0.173 4.182 4.340 0.026 0.000 0.212 721 L C 2.480 179.320 176.870 -0.049 0.000 1.103 721 L CA 1.209 55.961 54.840 -0.147 0.000 0.769 721 L CB -0.390 41.679 42.059 0.017 0.000 0.908 721 L HN 0.114 nan 8.230 nan 0.000 0.438 722 R N -0.603 119.908 120.500 0.017 0.000 2.236 722 R HA -0.018 4.338 4.340 0.026 0.000 0.208 722 R C 1.804 178.162 176.300 0.097 0.000 1.036 722 R CA 0.888 57.080 56.100 0.152 0.000 1.001 722 R CB -0.047 30.367 30.300 0.191 0.000 0.896 722 R HN 0.351 nan 8.270 nan 0.000 0.464 723 G N -0.925 107.856 108.800 -0.031 0.000 3.228 723 G HA2 -0.069 3.907 3.960 0.026 0.000 0.245 723 G HA3 -0.069 3.907 3.960 0.026 0.000 0.245 723 G C 1.191 176.026 174.900 -0.108 0.000 1.051 723 G CA -0.003 45.066 45.100 -0.053 0.000 0.809 723 G HN 0.448 nan 8.290 nan 0.000 0.531 724 C N -0.640 118.536 119.300 -0.207 0.000 2.481 724 C HA 0.559 5.034 4.460 0.026 0.000 0.275 724 C C 1.450 176.482 174.990 0.070 0.000 1.419 724 C CA -0.033 58.904 59.018 -0.135 0.000 1.773 724 C CB -1.092 26.400 27.740 -0.415 0.000 1.862 724 C HN 1.228 nan 8.230 nan 0.000 0.530 725 G N 0.082 108.902 108.800 0.033 0.000 2.650 725 G HA2 0.080 4.056 3.960 0.026 0.000 0.686 725 G HA3 0.080 4.056 3.960 0.026 0.000 0.686 725 G C 0.249 175.167 174.900 0.029 0.000 1.205 725 G CA 0.214 45.347 45.100 0.054 0.000 0.781 725 G HN 0.908 nan 8.290 nan 0.000 0.648 726 T N -1.022 113.540 114.554 0.014 0.000 2.833 726 T HA 0.165 4.530 4.350 0.026 0.000 0.269 726 T C 2.659 177.374 174.700 0.025 0.000 1.054 726 T CA 2.306 64.414 62.100 0.014 0.000 1.135 726 T CB -0.236 68.622 68.868 -0.017 0.000 0.869 726 T HN 1.981 nan 8.240 nan 0.000 0.466 727 A N 1.676 124.499 122.820 0.006 0.000 1.902 727 A HA 0.115 4.451 4.320 0.026 0.000 0.217 727 A C 2.489 180.030 177.584 -0.071 0.000 1.181 727 A CA 1.502 53.537 52.037 -0.002 0.000 0.623 727 A CB -0.700 18.283 19.000 -0.029 0.000 0.818 727 A HN 0.503 nan 8.150 nan 0.000 0.443 728 M N -0.851 118.666 119.600 -0.138 0.000 2.236 728 M HA 0.028 4.524 4.480 0.026 0.000 0.266 728 M C 2.064 178.174 176.300 -0.317 0.000 1.070 728 M CA 0.884 55.976 55.300 -0.347 0.000 1.137 728 M CB -0.405 32.007 32.600 -0.314 0.000 1.378 728 M HN 0.374 nan 8.290 nan 0.000 0.426 729 L N -0.612 120.590 121.223 -0.035 0.000 2.079 729 L HA -0.273 4.083 4.340 0.026 0.000 0.210 729 L C 2.636 179.551 176.870 0.074 0.000 1.081 729 L CA 1.542 56.438 54.840 0.095 0.000 0.752 729 L CB -0.898 41.248 42.059 0.144 0.000 0.896 729 L HN 0.380 nan 8.230 nan 0.000 0.433 730 H N -0.077 118.971 119.070 -0.037 0.000 2.326 730 H HA -0.171 4.401 4.556 0.026 0.000 0.301 730 H C 1.782 177.076 175.328 -0.057 0.000 1.081 730 H CA 1.986 58.017 56.048 -0.029 0.000 1.334 730 H CB -0.126 29.615 29.762 -0.035 0.000 1.385 730 H HN 0.191 nan 8.280 nan 0.000 0.504 731 D N -0.473 119.670 120.400 -0.429 0.000 2.117 731 D HA -0.124 4.532 4.640 0.026 0.000 0.197 731 D C 1.986 178.075 176.300 -0.351 0.000 0.987 731 D CA 1.276 54.969 54.000 -0.511 0.000 0.829 731 D CB -0.384 40.137 40.800 -0.465 0.000 0.961 731 D HN 0.424 nan 8.370 nan 0.000 0.460 732 F N 0.335 120.113 119.950 -0.287 0.000 2.146 732 F HA -0.167 4.376 4.527 0.026 0.000 0.298 732 F C 2.628 178.310 175.800 -0.196 0.000 1.096 732 F CA 0.885 58.644 58.000 -0.403 0.000 1.275 732 F CB -0.438 38.098 39.000 -0.774 0.000 1.008 732 F HN -0.100 nan 8.300 nan 0.000 0.480 733 T N -0.400 114.189 114.554 0.058 0.000 2.720 733 T HA -0.221 4.145 4.350 0.026 0.000 0.268 733 T C 1.928 176.656 174.700 0.046 0.000 1.037 733 T CA 1.302 63.444 62.100 0.071 0.000 1.144 733 T CB -0.276 68.650 68.868 0.097 0.000 0.864 733 T HN 0.247 nan 8.240 nan 0.000 0.444 734 Q N 0.848 120.626 119.800 -0.037 0.000 2.084 734 Q HA -0.114 4.242 4.340 0.026 0.000 0.202 734 Q C 2.473 178.494 176.000 0.036 0.000 0.978 734 Q CA 1.396 57.189 55.803 -0.016 0.000 0.844 734 Q CB -0.327 28.352 28.738 -0.098 0.000 0.898 734 Q HN 0.651 nan 8.270 nan 0.000 0.426 735 Q N -0.070 119.788 119.800 0.098 0.000 2.050 735 Q HA -0.111 4.245 4.340 0.026 0.000 0.202 735 Q C 2.303 178.450 176.000 0.245 0.000 0.980 735 Q CA 1.390 57.317 55.803 0.207 0.000 0.840 735 Q CB -0.033 28.982 28.738 0.461 0.000 0.898 735 Q HN 0.139 nan 8.270 nan 0.000 0.424 736 V N 1.036 121.114 119.914 0.274 0.000 2.407 736 V HA -0.290 3.846 4.120 0.026 0.000 0.248 736 V C 2.111 178.285 176.094 0.134 0.000 1.055 736 V CA 1.827 64.283 62.300 0.259 0.000 1.049 736 V CB -0.481 31.458 31.823 0.194 0.000 0.662 736 V HN 0.397 nan 8.190 nan 0.000 0.455 737 Q N -0.888 118.958 119.800 0.076 0.000 2.167 737 Q HA -0.140 4.215 4.340 0.026 0.000 0.202 737 Q C 2.339 178.321 176.000 -0.030 0.000 0.970 737 Q CA 1.453 57.273 55.803 0.029 0.000 0.855 737 Q CB -0.158 28.599 28.738 0.032 0.000 0.911 737 Q HN 0.544 nan 8.270 nan 0.000 0.438 738 V N 1.832 121.682 119.914 -0.107 0.000 2.270 738 V HA -0.213 3.923 4.120 0.026 0.000 0.245 738 V C 2.195 178.177 176.094 -0.187 0.000 1.043 738 V CA 1.575 63.711 62.300 -0.274 0.000 1.014 738 V CB -0.524 30.822 31.823 -0.794 0.000 0.645 738 V HN 0.517 nan 8.190 nan 0.000 0.447 739 I N -0.595 119.941 120.570 -0.057 0.000 2.761 739 I HA -0.095 4.090 4.170 0.026 0.000 0.261 739 I C 2.060 178.179 176.117 0.002 0.000 1.198 739 I CA 1.513 62.830 61.300 0.027 0.000 1.482 739 I CB -1.056 37.106 38.000 0.269 0.000 1.100 739 I HN 0.434 nan 8.210 nan 0.000 0.445 740 E N 0.998 121.214 120.200 0.027 0.000 2.077 740 E HA -0.198 4.167 4.350 0.026 0.000 0.193 740 E C 2.258 178.838 176.600 -0.034 0.000 0.989 740 E CA 1.660 58.072 56.400 0.020 0.000 0.800 740 E CB -0.143 29.579 29.700 0.038 0.000 0.746 740 E HN 0.528 nan 8.360 nan 0.000 0.452 741 M N 0.252 119.816 119.600 -0.061 0.000 2.159 741 M HA -0.166 4.329 4.480 0.026 0.000 0.263 741 M C 2.183 178.397 176.300 -0.143 0.000 1.063 741 M CA 1.292 56.545 55.300 -0.079 0.000 1.110 741 M CB -0.057 32.503 32.600 -0.067 0.000 1.374 741 M HN 0.111 nan 8.290 nan 0.000 0.411 742 L N -0.873 120.191 121.223 -0.265 0.000 2.162 742 L HA -0.119 4.237 4.340 0.026 0.000 0.205 742 L C 2.461 179.044 176.870 -0.478 0.000 1.086 742 L CA 0.865 55.414 54.840 -0.484 0.000 0.778 742 L CB -0.448 41.044 42.059 -0.946 0.000 0.928 742 L HN 0.316 nan 8.230 nan 0.000 0.446 743 Q N 0.054 119.655 119.800 -0.332 0.000 2.124 743 Q HA -0.236 4.120 4.340 0.026 0.000 0.202 743 Q C 2.130 178.094 176.000 -0.060 0.000 0.977 743 Q CA 1.353 57.099 55.803 -0.095 0.000 0.850 743 Q CB -0.025 28.744 28.738 0.051 0.000 0.901 743 Q HN 0.382 nan 8.270 nan 0.000 0.429 744 K N 0.068 120.426 120.400 -0.070 0.000 2.009 744 K HA -0.169 4.167 4.320 0.026 0.000 0.210 744 K C 2.093 178.664 176.600 -0.048 0.000 1.049 744 K CA 1.618 57.877 56.287 -0.046 0.000 0.929 744 K CB -0.155 32.321 32.500 -0.040 0.000 0.714 744 K HN 0.063 nan 8.250 nan 0.000 0.440 745 V N 1.106 120.978 119.914 -0.069 0.000 2.343 745 V HA -0.251 3.885 4.120 0.026 0.000 0.247 745 V C 2.197 178.276 176.094 -0.026 0.000 1.051 745 V CA 2.184 64.455 62.300 -0.048 0.000 1.036 745 V CB -0.815 30.971 31.823 -0.061 0.000 0.654 745 V HN 0.412 nan 8.190 nan 0.000 0.451 746 T N 0.788 115.325 114.554 -0.029 0.000 2.699 746 T HA -0.173 4.193 4.350 0.026 0.000 0.268 746 T C 1.844 176.560 174.700 0.027 0.000 1.036 746 T CA 1.743 63.865 62.100 0.037 0.000 1.147 746 T CB -0.324 68.600 68.868 0.093 0.000 0.862 746 T HN 0.344 nan 8.240 nan 0.000 0.446 747 L N 0.611 121.824 121.223 -0.017 0.000 2.109 747 L HA -0.041 4.314 4.340 0.026 0.000 0.207 747 L C 2.384 179.228 176.870 -0.043 0.000 1.086 747 L CA 1.041 55.839 54.840 -0.070 0.000 0.760 747 L CB -0.603 41.390 42.059 -0.111 0.000 0.910 747 L HN 0.120 nan 8.230 nan 0.000 0.437 748 D N 0.322 120.706 120.400 -0.026 0.000 2.178 748 D HA -0.150 4.506 4.640 0.026 0.000 0.201 748 D C 2.070 178.368 176.300 -0.004 0.000 0.980 748 D CA 1.147 55.137 54.000 -0.016 0.000 0.842 748 D CB -0.009 40.783 40.800 -0.014 0.000 0.948 748 D HN 0.177 nan 8.370 nan 0.000 0.472 749 I N 0.670 121.244 120.570 0.007 0.000 2.406 749 I HA -0.124 4.062 4.170 0.026 0.000 0.249 749 I C 2.154 178.286 176.117 0.023 0.000 1.122 749 I CA 0.867 62.179 61.300 0.020 0.000 1.431 749 I CB -0.064 37.958 38.000 0.036 0.000 1.087 749 I HN -0.132 nan 8.210 nan 0.000 0.424 750 K N 0.147 120.561 120.400 0.022 0.000 2.044 750 K HA -0.181 4.154 4.320 0.026 0.000 0.210 750 K C 2.125 178.734 176.600 0.014 0.000 1.049 750 K CA 1.945 58.248 56.287 0.027 0.000 0.927 750 K CB -0.188 32.324 32.500 0.020 0.000 0.713 750 K HN 0.292 nan 8.250 nan 0.000 0.443 751 S N 1.253 116.953 115.700 0.001 0.000 2.447 751 S HA -0.066 4.419 4.470 0.026 0.000 0.233 751 S C 1.847 176.449 174.600 0.002 0.000 1.006 751 S CA 0.683 58.882 58.200 -0.002 0.000 0.957 751 S CB -0.050 63.145 63.200 -0.009 0.000 0.773 751 S HN 0.198 nan 8.310 nan 0.000 0.507 752 L N 1.418 122.645 121.223 0.006 0.000 2.131 752 L HA 0.048 4.403 4.340 0.026 0.000 0.206 752 L C 0.636 177.511 176.870 0.008 0.000 1.087 752 L CA 0.623 55.467 54.840 0.007 0.000 0.767 752 L CB -0.042 42.023 42.059 0.010 0.000 0.917 752 L HN 0.253 nan 8.230 nan 0.000 0.441 753 S N -1.426 114.281 115.700 0.011 0.000 2.659 753 S HA 0.652 5.138 4.470 0.026 0.000 0.312 753 S C 0.320 174.921 174.600 0.002 0.000 1.114 753 S CA -0.455 57.749 58.200 0.007 0.000 1.063 753 S CB 1.861 65.070 63.200 0.014 0.000 0.996 753 S HN 0.134 nan 8.310 nan 0.000 0.478 754 A N 3.166 125.981 122.820 -0.009 0.000 1.881 754 A HA 0.058 4.394 4.320 0.026 0.000 0.208 754 A C 1.824 179.392 177.584 -0.028 0.000 1.264 754 A CA 0.996 53.023 52.037 -0.016 0.000 0.629 754 A CB -0.516 18.471 19.000 -0.022 0.000 0.906 754 A HN 0.787 nan 8.150 nan 0.000 0.476 755 E N -1.225 118.937 120.200 -0.064 0.000 2.306 755 E HA 0.103 4.469 4.350 0.026 0.000 0.201 755 E C 0.157 176.643 176.600 -0.191 0.000 0.874 755 E CA -0.199 56.134 56.400 -0.112 0.000 0.972 755 E CB -0.269 29.349 29.700 -0.138 0.000 0.957 755 E HN 0.331 nan 8.360 nan 0.000 0.492 756 K N 1.188 121.474 120.400 -0.190 0.000 2.508 756 K HA -0.205 4.131 4.320 0.026 0.000 0.262 756 K C 0.453 176.987 176.600 -0.111 0.000 1.016 756 K CA 0.298 56.478 56.287 -0.178 0.000 1.122 756 K CB -0.167 32.299 32.500 -0.057 0.000 0.778 756 K HN 0.127 nan 8.250 nan 0.000 0.469 757 Y N 1.023 121.340 120.300 0.027 0.000 2.333 757 Y HA -0.180 4.386 4.550 0.026 0.000 0.290 757 Y C 0.883 176.800 175.900 0.029 0.000 1.144 757 Y CA 1.133 59.253 58.100 0.033 0.000 1.228 757 Y CB 0.099 38.581 38.460 0.037 0.000 0.985 757 Y HN 0.621 nan 8.280 nan 0.000 0.542 758 D N -0.550 119.943 120.400 0.154 0.000 2.228 758 D HA 0.326 4.981 4.640 0.026 0.000 0.247 758 D C -0.834 175.502 176.300 0.060 0.000 0.995 758 D CA -0.537 53.522 54.000 0.098 0.000 0.903 758 D CB 2.324 43.171 40.800 0.079 0.000 1.205 758 D HN -0.243 nan 8.370 nan 0.000 0.459 759 V N 1.330 121.272 119.914 0.046 0.000 2.364 759 V HA 0.263 4.398 4.120 0.026 0.000 0.272 759 V C 0.997 177.106 176.094 0.025 0.000 1.036 759 V CA -0.651 61.669 62.300 0.033 0.000 0.880 759 V CB 0.433 32.273 31.823 0.028 0.000 0.991 759 V HN 0.736 nan 8.190 nan 0.000 0.460 760 S N 3.388 119.101 115.700 0.023 0.000 2.655 760 S HA 0.217 4.702 4.470 0.026 0.000 0.265 760 S C 1.615 176.224 174.600 0.014 0.000 1.240 760 S CA 0.355 58.566 58.200 0.018 0.000 0.986 760 S CB 1.352 64.563 63.200 0.018 0.000 0.985 760 S HN 0.756 nan 8.310 nan 0.000 0.562 761 S N 0.073 115.780 115.700 0.012 0.000 2.351 761 S HA -0.272 4.214 4.470 0.026 0.000 0.220 761 S C 2.010 176.616 174.600 0.011 0.000 1.035 761 S CA 1.955 60.161 58.200 0.010 0.000 1.031 761 S CB -1.081 62.124 63.200 0.008 0.000 0.928 761 S HN 0.839 nan 8.310 nan 0.000 0.433 762 Q N -0.365 119.442 119.800 0.011 0.000 2.368 762 Q HA -0.046 4.310 4.340 0.026 0.000 0.210 762 Q C 1.774 177.782 176.000 0.012 0.000 0.982 762 Q CA 1.413 57.222 55.803 0.011 0.000 0.884 762 Q CB -0.059 28.685 28.738 0.010 0.000 0.933 762 Q HN 0.510 nan 8.270 nan 0.000 0.460 763 V N -0.018 119.905 119.914 0.015 0.000 2.825 763 V HA -0.055 4.081 4.120 0.026 0.000 0.246 763 V C 1.614 177.720 176.094 0.020 0.000 1.068 763 V CA 0.695 63.006 62.300 0.018 0.000 1.088 763 V CB 0.122 31.957 31.823 0.021 0.000 0.733 763 V HN 0.408 nan 8.190 nan 0.000 0.468 764 I N -0.080 120.501 120.570 0.018 0.000 3.749 764 I HA 0.022 4.207 4.170 0.026 0.000 0.314 764 I C 2.169 178.295 176.117 0.015 0.000 1.267 764 I CA 0.776 62.087 61.300 0.018 0.000 1.169 764 I CB -0.404 37.604 38.000 0.013 0.000 1.009 764 I HN 0.307 nan 8.210 nan 0.000 0.444 765 S N 1.009 116.717 115.700 0.014 0.000 2.387 765 S HA -0.110 4.376 4.470 0.026 0.000 0.221 765 S C 1.835 176.443 174.600 0.012 0.000 1.041 765 S CA 0.918 59.125 58.200 0.012 0.000 0.959 765 S CB 0.218 63.424 63.200 0.010 0.000 0.843 765 S HN 0.404 nan 8.310 nan 0.000 0.488 766 Q N 0.880 120.688 119.800 0.013 0.000 2.083 766 Q HA 0.151 4.507 4.340 0.026 0.000 0.198 766 Q C 2.191 178.199 176.000 0.013 0.000 0.969 766 Q CA 1.174 56.984 55.803 0.012 0.000 0.838 766 Q CB -0.316 28.428 28.738 0.011 0.000 0.900 766 Q HN 0.460 nan 8.270 nan 0.000 0.436 767 L N 0.505 121.739 121.223 0.018 0.000 2.012 767 L HA -0.277 4.078 4.340 0.026 0.000 0.210 767 L C 1.913 178.793 176.870 0.018 0.000 1.073 767 L CA 1.284 56.137 54.840 0.022 0.000 0.748 767 L CB -0.178 41.901 42.059 0.034 0.000 0.891 767 L HN 0.221 nan 8.230 nan 0.000 0.431 768 K N -0.330 120.081 120.400 0.017 0.000 1.991 768 K HA -0.288 4.048 4.320 0.026 0.000 0.212 768 K C 1.844 178.451 176.600 0.012 0.000 1.049 768 K CA 1.704 57.999 56.287 0.015 0.000 0.932 768 K CB -0.823 31.686 32.500 0.014 0.000 0.717 768 K HN 0.416 nan 8.250 nan 0.000 0.441 769 Q N 1.224 121.031 119.800 0.012 0.000 2.062 769 Q HA -0.209 4.147 4.340 0.026 0.000 0.209 769 Q C 2.082 178.088 176.000 0.009 0.000 0.996 769 Q CA 2.038 57.847 55.803 0.010 0.000 0.859 769 Q CB 0.001 28.745 28.738 0.009 0.000 0.920 769 Q HN 0.257 nan 8.270 nan 0.000 0.415 770 K N -0.190 120.214 120.400 0.008 0.000 2.103 770 K HA -0.145 4.191 4.320 0.026 0.000 0.207 770 K C 2.109 178.712 176.600 0.005 0.000 1.048 770 K CA 1.248 57.538 56.287 0.005 0.000 0.930 770 K CB -0.068 32.432 32.500 0.001 0.000 0.716 770 K HN 0.267 nan 8.250 nan 0.000 0.444 771 L N 0.317 121.544 121.223 0.007 0.000 2.044 771 L HA -0.160 4.196 4.340 0.026 0.000 0.205 771 L C 2.333 179.213 176.870 0.017 0.000 1.075 771 L CA 1.218 56.063 54.840 0.009 0.000 0.747 771 L CB -0.367 41.693 42.059 0.001 0.000 0.903 771 L HN 0.192 nan 8.230 nan 0.000 0.435 772 E N 0.368 120.578 120.200 0.015 0.000 2.097 772 E HA -0.259 4.107 4.350 0.026 0.000 0.196 772 E C 1.990 178.603 176.600 0.021 0.000 1.000 772 E CA 1.520 57.932 56.400 0.019 0.000 0.804 772 E CB -0.033 29.676 29.700 0.016 0.000 0.740 772 E HN 0.431 nan 8.360 nan 0.000 0.454 773 N N -0.089 118.621 118.700 0.017 0.000 2.043 773 N HA -0.182 4.574 4.740 0.026 0.000 0.193 773 N C 1.990 177.512 175.510 0.020 0.000 1.037 773 N CA 0.910 53.970 53.050 0.016 0.000 0.851 773 N CB -0.102 38.392 38.487 0.011 0.000 1.027 773 N HN 0.120 nan 8.380 nan 0.000 0.422 774 L N 0.923 122.158 121.223 0.021 0.000 2.083 774 L HA -0.209 4.147 4.340 0.026 0.000 0.209 774 L C 2.671 179.567 176.870 0.043 0.000 1.083 774 L CA 1.137 55.992 54.840 0.026 0.000 0.752 774 L CB -0.240 41.832 42.059 0.020 0.000 0.899 774 L HN 0.273 nan 8.230 nan 0.000 0.433 775 Q N 0.081 119.911 119.800 0.050 0.000 2.083 775 Q HA -0.174 4.182 4.340 0.026 0.000 0.198 775 Q C 1.716 177.750 176.000 0.057 0.000 0.969 775 Q CA 1.696 57.540 55.803 0.067 0.000 0.838 775 Q CB 0.082 28.860 28.738 0.066 0.000 0.900 775 Q HN 0.382 nan 8.270 nan 0.000 0.436 776 N N -0.914 117.812 118.700 0.042 0.000 2.515 776 N HA 0.023 4.779 4.740 0.026 0.000 0.185 776 N C -0.172 175.358 175.510 0.034 0.000 1.109 776 N CA 0.739 53.811 53.050 0.036 0.000 0.903 776 N CB 0.431 38.936 38.487 0.029 0.000 0.969 776 N HN 0.008 nan 8.380 nan 0.000 0.450 777 S N -1.549 114.172 115.700 0.035 0.000 2.865 777 S HA 0.253 4.739 4.470 0.026 0.000 0.229 777 S C 0.002 174.622 174.600 0.032 0.000 0.759 777 S CA -0.285 57.934 58.200 0.032 0.000 1.142 777 S CB -0.059 63.155 63.200 0.024 0.000 1.380 777 S HN 0.103 nan 8.310 nan 0.000 0.525 778 Q N -0.189 119.635 119.800 0.039 0.000 2.399 778 Q HA 0.422 4.778 4.340 0.026 0.000 0.181 778 Q C -0.299 175.728 176.000 0.046 0.000 0.699 778 Q CA -0.138 55.687 55.803 0.036 0.000 0.910 778 Q CB 0.599 29.353 28.738 0.026 0.000 1.256 778 Q HN 0.450 nan 8.270 nan 0.000 0.414 779 L N 3.689 124.947 121.223 0.058 0.000 2.319 779 L HA 0.444 4.799 4.340 0.026 0.000 0.280 779 L C -2.342 174.592 176.870 0.108 0.000 1.099 779 L CA -1.873 53.013 54.840 0.076 0.000 0.828 779 L CB 0.675 42.794 42.059 0.101 0.000 1.150 779 L HN -0.068 nan 8.230 nan 0.000 0.442 780 P HA -0.026 nan 4.420 nan 0.000 0.264 780 P C 0.199 177.599 177.300 0.167 0.000 1.179 780 P CA 0.080 63.263 63.100 0.138 0.000 0.763 780 P CB 0.488 32.279 31.700 0.151 0.000 0.806 781 E N 0.496 120.770 120.200 0.123 0.000 2.219 781 E HA -0.107 4.259 4.350 0.026 0.000 0.198 781 E C 0.272 176.925 176.600 0.088 0.000 0.998 781 E CA 1.351 57.811 56.400 0.101 0.000 0.818 781 E CB 0.044 29.786 29.700 0.071 0.000 0.741 781 E HN 0.615 nan 8.360 nan 0.000 0.477 782 S N -0.483 115.274 115.700 0.094 0.000 2.548 782 S HA 0.508 4.994 4.470 0.026 0.000 0.278 782 S C -0.835 173.801 174.600 0.060 0.000 1.150 782 S CA -1.159 57.043 58.200 0.003 0.000 0.907 782 S CB 0.790 63.955 63.200 -0.058 0.000 1.108 782 S HN 0.182 nan 8.310 nan 0.000 0.459 783 F N -0.514 119.358 119.950 -0.131 0.000 2.588 783 F HA 0.750 5.293 4.527 0.026 0.000 0.310 783 F C -0.212 175.470 175.800 -0.198 0.000 1.082 783 F CA -1.321 56.585 58.000 -0.157 0.000 0.929 783 F CB 1.280 40.196 39.000 -0.141 0.000 1.254 783 F HN 0.666 nan 8.300 nan 0.000 0.455 784 R N 1.449 121.922 120.500 -0.044 0.000 2.590 784 R HA 0.406 4.762 4.340 0.026 0.000 0.274 784 R C -0.941 175.321 176.300 -0.063 0.000 1.061 784 R CA -0.489 55.525 56.100 -0.144 0.000 1.081 784 R CB 1.161 31.372 30.300 -0.148 0.000 0.984 784 R HN 0.635 nan 8.270 nan 0.000 0.448 785 V N 6.785 126.536 119.914 -0.272 0.000 2.389 785 V HA 0.060 4.196 4.120 0.026 0.000 0.264 785 V C -1.501 174.369 176.094 -0.372 0.000 1.049 785 V CA -1.283 60.791 62.300 -0.375 0.000 0.932 785 V CB 1.208 32.665 31.823 -0.611 0.000 1.011 785 V HN 0.710 nan 8.190 nan 0.000 0.475 786 P HA -0.176 nan 4.420 nan 0.000 0.216 786 P C 1.330 178.551 177.300 -0.132 0.000 1.150 786 P CA 1.461 64.413 63.100 -0.246 0.000 0.837 786 P CB -0.038 31.140 31.700 -0.870 0.000 0.786 787 Y N -1.779 118.485 120.300 -0.059 0.000 2.561 787 Y HA 0.212 4.777 4.550 0.026 0.000 0.291 787 Y C 0.266 176.277 175.900 0.185 0.000 1.141 787 Y CA 0.047 58.220 58.100 0.121 0.000 1.303 787 Y CB -0.805 37.707 38.460 0.087 0.000 1.015 787 Y HN -0.139 nan 8.280 nan 0.000 0.547 788 D N 1.041 121.414 120.400 -0.044 0.000 2.668 788 D HA 0.185 4.840 4.640 0.026 0.000 0.247 788 D C -2.355 173.798 176.300 -0.244 0.000 1.268 788 D CA -2.129 51.870 54.000 -0.002 0.000 0.842 788 D CB 1.179 42.040 40.800 0.101 0.000 1.399 788 D HN -0.028 nan 8.370 nan 0.000 0.530 789 P HA -0.027 nan 4.420 nan 0.000 0.222 789 P C 1.425 178.514 177.300 -0.353 0.000 1.147 789 P CA 0.596 63.319 63.100 -0.629 0.000 0.790 789 P CB 0.294 31.320 31.700 -1.123 0.000 0.780 790 G N 0.213 108.892 108.800 -0.201 0.000 2.432 790 G HA2 -0.113 3.863 3.960 0.026 0.000 0.219 790 G HA3 -0.113 3.863 3.960 0.026 0.000 0.219 790 G C 0.786 175.584 174.900 -0.170 0.000 1.135 790 G CA 0.069 45.093 45.100 -0.128 0.000 0.767 790 G HN 0.244 nan 8.290 nan 0.000 0.550 791 L N 0.702 121.816 121.223 -0.181 0.000 2.349 791 L HA 0.311 4.667 4.340 0.026 0.000 0.275 791 L C -0.049 176.661 176.870 -0.266 0.000 1.115 791 L CA -0.197 54.524 54.840 -0.199 0.000 0.820 791 L CB 1.301 43.257 42.059 -0.173 0.000 1.135 791 L HN 0.006 nan 8.230 nan 0.000 0.445 792 K N 3.360 123.603 120.400 -0.261 0.000 2.339 792 K HA 0.539 4.875 4.320 0.026 0.000 0.264 792 K C -0.533 175.830 176.600 -0.394 0.000 0.986 792 K CA -0.504 55.589 56.287 -0.324 0.000 0.866 792 K CB 1.899 34.259 32.500 -0.234 0.000 1.103 792 K HN 0.641 nan 8.250 nan 0.000 0.441 793 A N 2.400 124.807 122.820 -0.688 0.000 2.322 793 A HA 0.662 4.998 4.320 0.026 0.000 0.269 793 A C 0.482 177.707 177.584 -0.599 0.000 1.094 793 A CA -0.001 51.583 52.037 -0.756 0.000 0.807 793 A CB 0.889 19.038 19.000 -1.419 0.000 1.047 793 A HN 0.850 nan 8.150 nan 0.000 0.487 794 G N -0.372 108.292 108.800 -0.226 0.000 3.414 794 G HA2 0.570 4.545 3.960 0.026 0.000 0.196 794 G HA3 0.570 4.545 3.960 0.026 0.000 0.196 794 G C 0.323 175.332 174.900 0.182 0.000 1.486 794 G CA 0.249 45.329 45.100 -0.034 0.000 0.811 794 G HN 1.410 nan 8.290 nan 0.000 0.704 795 A N -0.413 122.516 122.820 0.182 0.000 2.340 795 A HA 0.642 4.978 4.320 0.026 0.000 0.268 795 A C 0.082 177.798 177.584 0.221 0.000 1.100 795 A CA -0.442 51.722 52.037 0.212 0.000 0.803 795 A CB 0.178 19.247 19.000 0.115 0.000 1.043 795 A HN 0.487 nan 8.150 nan 0.000 0.488 796 L N 1.444 122.754 121.223 0.145 0.000 2.540 796 L HA 0.162 4.518 4.340 0.026 0.000 0.276 796 L C 1.034 177.868 176.870 -0.059 0.000 1.212 796 L CA 0.017 54.786 54.840 -0.118 0.000 0.893 796 L CB 0.655 42.635 42.059 -0.131 0.000 1.138 796 L HN 0.778 nan 8.230 nan 0.000 0.491 797 A N 5.728 128.494 122.820 -0.089 0.000 2.807 797 A HA 0.295 4.631 4.320 0.026 0.000 0.307 797 A C 1.258 178.827 177.584 -0.025 0.000 1.532 797 A CA -0.404 51.620 52.037 -0.023 0.000 1.215 797 A CB -0.373 18.632 19.000 0.008 0.000 1.127 797 A HN 0.824 nan 8.150 nan 0.000 0.543 798 I N 0.700 121.260 120.570 -0.016 0.000 2.264 798 I HA -0.269 3.917 4.170 0.026 0.000 0.248 798 I C 2.071 178.197 176.117 0.015 0.000 1.111 798 I CA 1.529 62.824 61.300 -0.008 0.000 1.382 798 I CB -0.367 37.634 38.000 0.001 0.000 1.060 798 I HN 0.615 nan 8.210 nan 0.000 0.418 799 E N 1.583 121.796 120.200 0.021 0.000 2.097 799 E HA -0.238 4.127 4.350 0.026 0.000 0.196 799 E C 1.956 178.583 176.600 0.044 0.000 1.000 799 E CA 1.388 57.805 56.400 0.029 0.000 0.804 799 E CB -0.383 29.333 29.700 0.028 0.000 0.740 799 E HN 0.417 nan 8.360 nan 0.000 0.454 800 K N -0.264 120.175 120.400 0.064 0.000 2.432 800 K HA 0.112 4.447 4.320 0.026 0.000 0.196 800 K C 0.085 176.790 176.600 0.174 0.000 1.038 800 K CA 0.071 56.427 56.287 0.115 0.000 0.986 800 K CB 0.071 32.662 32.500 0.151 0.000 0.782 800 K HN 0.083 nan 8.250 nan 0.000 0.485 801 C N 2.304 121.681 119.300 0.128 0.000 2.689 801 C HA 0.223 4.699 4.460 0.026 0.000 0.409 801 C C 0.240 175.309 174.990 0.132 0.000 1.293 801 C CA -0.392 58.726 59.018 0.166 0.000 2.136 801 C CB -0.384 27.397 27.740 0.068 0.000 2.719 801 C HN 0.498 nan 8.230 nan 0.000 0.644 802 K N 0.322 120.821 120.400 0.166 0.000 2.658 802 K HA 0.622 4.957 4.320 0.026 0.000 0.293 802 K C -1.944 174.726 176.600 0.117 0.000 1.026 802 K CA -0.859 55.477 56.287 0.082 0.000 0.871 802 K CB 0.393 32.883 32.500 -0.017 0.000 1.524 802 K HN 0.189 nan 8.250 nan 0.000 0.400 803 V N 2.085 122.044 119.914 0.075 0.000 2.546 803 V HA 0.264 4.400 4.120 0.026 0.000 0.284 803 V C 0.288 176.419 176.094 0.062 0.000 1.050 803 V CA -0.509 61.844 62.300 0.088 0.000 0.981 803 V CB 1.086 32.950 31.823 0.067 0.000 0.990 803 V HN 0.682 nan 8.190 nan 0.000 0.474 804 M N 2.972 122.628 119.600 0.093 0.000 2.247 804 M HA 0.409 4.904 4.480 0.026 0.000 0.326 804 M C 0.999 177.332 176.300 0.054 0.000 1.134 804 M CA -0.204 55.131 55.300 0.059 0.000 1.136 804 M CB 1.359 34.031 32.600 0.120 0.000 1.454 804 M HN 0.731 nan 8.290 nan 0.000 0.467 805 A N 1.492 124.332 122.820 0.034 0.000 2.327 805 A HA 0.240 4.576 4.320 0.026 0.000 0.228 805 A C 0.244 177.876 177.584 0.080 0.000 1.275 805 A CA -0.110 51.956 52.037 0.049 0.000 0.875 805 A CB -0.486 18.534 19.000 0.032 0.000 0.925 805 A HN 0.719 nan 8.150 nan 0.000 0.493 806 S N -0.084 115.665 115.700 0.082 0.000 2.707 806 S HA 0.316 4.801 4.470 0.026 0.000 0.276 806 S C 1.062 175.716 174.600 0.089 0.000 1.179 806 S CA -0.369 57.888 58.200 0.096 0.000 0.992 806 S CB 1.149 64.403 63.200 0.089 0.000 1.030 806 S HN 0.462 nan 8.310 nan 0.000 0.554 807 K N 0.542 120.997 120.400 0.092 0.000 2.155 807 K HA 0.055 4.391 4.320 0.026 0.000 0.203 807 K C 0.280 176.918 176.600 0.063 0.000 1.052 807 K CA 1.029 57.349 56.287 0.055 0.000 0.948 807 K CB -0.225 32.306 32.500 0.051 0.000 0.728 807 K HN 0.219 nan 8.250 nan 0.000 0.448 808 K N 1.259 121.714 120.400 0.092 0.000 2.102 808 K HA 0.229 4.565 4.320 0.026 0.000 0.244 808 K C -0.080 176.585 176.600 0.108 0.000 1.021 808 K CA -0.427 55.925 56.287 0.109 0.000 0.913 808 K CB 0.545 33.118 32.500 0.121 0.000 1.062 808 K HN -0.115 nan 8.250 nan 0.000 0.485 809 K N 1.962 122.435 120.400 0.121 0.000 2.842 809 K HA 0.248 4.584 4.320 0.026 0.000 0.176 809 K C -2.552 174.128 176.600 0.134 0.000 1.080 809 K CA -1.523 54.830 56.287 0.109 0.000 0.954 809 K CB 1.261 33.812 32.500 0.084 0.000 1.203 809 K HN 0.437 nan 8.250 nan 0.000 0.611 810 P HA 0.136 nan 4.420 nan 0.000 0.275 810 P C -0.203 177.225 177.300 0.213 0.000 1.227 810 P CA -0.669 62.545 63.100 0.190 0.000 0.781 810 P CB 0.776 32.584 31.700 0.181 0.000 0.906 811 L N 3.826 125.199 121.223 0.249 0.000 2.410 811 L HA 0.176 4.532 4.340 0.026 0.000 0.273 811 L C 0.413 177.491 176.870 0.347 0.000 1.144 811 L CA 0.317 55.321 54.840 0.272 0.000 0.863 811 L CB -0.448 41.771 42.059 0.267 0.000 1.140 811 L HN 0.473 nan 8.230 nan 0.000 0.463 812 W N 7.172 128.542 121.300 0.116 0.000 2.316 812 W HA 0.465 5.141 4.660 0.026 0.000 0.308 812 W C -1.733 174.845 176.519 0.099 0.000 1.106 812 W CA -0.774 56.636 57.345 0.107 0.000 1.262 812 W CB 0.885 30.389 29.460 0.074 0.000 1.233 812 W HN 0.316 nan 8.180 nan 0.000 0.447 813 L N 6.202 127.470 121.223 0.075 0.000 2.362 813 L HA 0.425 4.780 4.340 0.026 0.000 0.275 813 L C -0.097 176.711 176.870 -0.103 0.000 0.998 813 L CA -0.704 54.155 54.840 0.031 0.000 0.820 813 L CB 2.336 44.479 42.059 0.139 0.000 1.270 813 L HN 0.326 nan 8.230 nan 0.000 0.415 814 E N 2.861 122.963 120.200 -0.163 0.000 2.222 814 E HA 0.569 4.935 4.350 0.026 0.000 0.267 814 E C -1.578 174.853 176.600 -0.281 0.000 0.884 814 E CA -0.593 55.748 56.400 -0.098 0.000 0.764 814 E CB 2.697 32.420 29.700 0.038 0.000 1.169 814 E HN 0.221 nan 8.360 nan 0.000 0.413 815 F N 1.053 121.040 119.950 0.060 0.000 2.561 815 F HA 0.377 4.920 4.527 0.026 0.000 0.321 815 F C 0.592 176.394 175.800 0.003 0.000 1.065 815 F CA -1.029 56.996 58.000 0.041 0.000 0.934 815 F CB 1.458 40.463 39.000 0.008 0.000 1.215 815 F HN 0.084 nan 8.300 nan 0.000 0.471 816 K N 0.543 121.052 120.400 0.181 0.000 2.258 816 K HA 0.232 4.567 4.320 0.026 0.000 0.264 816 K C -0.596 176.031 176.600 0.045 0.000 1.007 816 K CA -0.416 55.926 56.287 0.091 0.000 0.941 816 K CB 0.777 33.316 32.500 0.066 0.000 0.966 816 K HN 0.644 nan 8.250 nan 0.000 0.480 817 C N 2.528 121.828 119.300 0.000 0.000 2.499 817 C HA 0.286 4.762 4.460 0.026 0.000 0.386 817 C C 1.723 176.675 174.990 -0.064 0.000 1.293 817 C CA -0.314 58.671 59.018 -0.055 0.000 1.884 817 C CB -0.833 26.876 27.740 -0.052 0.000 2.509 817 C HN 0.896 nan 8.230 nan 0.000 0.566 818 A N 3.724 126.481 122.820 -0.104 0.000 2.024 818 A HA -0.064 4.272 4.320 0.026 0.000 0.220 818 A C 1.104 178.645 177.584 -0.072 0.000 1.164 818 A CA 1.370 53.355 52.037 -0.086 0.000 0.643 818 A CB -0.327 18.602 19.000 -0.118 0.000 0.806 818 A HN 0.915 nan 8.150 nan 0.000 0.451 819 D N -0.294 120.053 120.400 -0.087 0.000 2.336 819 D HA 0.229 4.885 4.640 0.026 0.000 0.249 819 D C -1.477 174.782 176.300 -0.070 0.000 1.213 819 D CA -2.003 51.945 54.000 -0.086 0.000 0.870 819 D CB 1.204 41.935 40.800 -0.116 0.000 1.076 819 D HN 0.108 nan 8.370 nan 0.000 0.483 820 P HA -0.087 nan 4.420 nan 0.000 0.225 820 P C 0.856 178.124 177.300 -0.055 0.000 1.148 820 P CA 0.859 63.934 63.100 -0.043 0.000 0.779 820 P CB -0.009 31.674 31.700 -0.029 0.000 0.780 821 T N -3.818 110.687 114.554 -0.081 0.000 3.206 821 T HA 0.525 4.891 4.350 0.026 0.000 0.253 821 T C 0.765 175.384 174.700 -0.135 0.000 1.042 821 T CA -0.476 61.557 62.100 -0.110 0.000 0.931 821 T CB -0.514 68.274 68.868 -0.134 0.000 1.029 821 T HN 0.064 nan 8.240 nan 0.000 0.564 822 A N 0.972 123.729 122.820 -0.105 0.000 2.407 822 A HA 0.624 4.959 4.320 0.026 0.000 0.248 822 A C 1.182 178.713 177.584 -0.088 0.000 1.082 822 A CA -0.553 51.426 52.037 -0.098 0.000 0.785 822 A CB 0.117 19.074 19.000 -0.071 0.000 1.020 822 A HN 0.408 nan 8.150 nan 0.000 0.489 823 L N 1.302 122.469 121.223 -0.094 0.000 2.156 823 L HA 0.013 4.369 4.340 0.026 0.000 0.208 823 L C 1.428 178.263 176.870 -0.059 0.000 1.095 823 L CA 1.284 56.062 54.840 -0.104 0.000 0.770 823 L CB -0.377 41.581 42.059 -0.168 0.000 0.914 823 L HN 0.561 nan 8.230 nan 0.000 0.439 824 S N -0.779 114.899 115.700 -0.036 0.000 2.651 824 S HA 0.290 4.776 4.470 0.026 0.000 0.291 824 S C 0.626 175.223 174.600 -0.004 0.000 1.141 824 S CA -0.651 57.542 58.200 -0.012 0.000 1.027 824 S CB 0.883 64.087 63.200 0.007 0.000 1.043 824 S HN 0.250 nan 8.310 nan 0.000 0.530 825 N N 0.879 119.583 118.700 0.008 0.000 2.276 825 N HA 0.061 4.816 4.740 0.026 0.000 0.212 825 N C -0.092 175.435 175.510 0.028 0.000 1.127 825 N CA -0.007 53.051 53.050 0.015 0.000 0.834 825 N CB 0.656 39.153 38.487 0.016 0.000 1.014 825 N HN 0.574 nan 8.380 nan 0.000 0.491 826 E N 1.750 121.970 120.200 0.032 0.000 2.318 826 E HA 0.108 4.473 4.350 0.026 0.000 0.265 826 E C -0.106 176.527 176.600 0.054 0.000 1.069 826 E CA -0.372 56.057 56.400 0.049 0.000 0.893 826 E CB 0.930 30.662 29.700 0.053 0.000 1.076 826 E HN 0.100 nan 8.360 nan 0.000 0.414 827 T N 0.372 114.969 114.554 0.071 0.000 2.907 827 T HA 0.450 4.816 4.350 0.026 0.000 0.284 827 T C 0.288 175.041 174.700 0.087 0.000 1.004 827 T CA -0.754 61.395 62.100 0.081 0.000 1.063 827 T CB 0.590 69.513 68.868 0.091 0.000 0.992 827 T HN 0.308 nan 8.240 nan 0.000 0.483 828 I N 2.374 123.008 120.570 0.107 0.000 2.379 828 I HA 0.437 4.623 4.170 0.026 0.000 0.290 828 I C 1.122 177.346 176.117 0.178 0.000 1.063 828 I CA -0.145 61.230 61.300 0.125 0.000 1.351 828 I CB 0.433 38.475 38.000 0.071 0.000 1.410 828 I HN 0.900 nan 8.210 nan 0.000 0.505 829 G N 7.365 116.219 108.800 0.090 0.000 2.389 829 G HA2 0.805 4.781 3.960 0.026 0.000 0.328 829 G HA3 0.805 4.781 3.960 0.026 0.000 0.328 829 G C -0.714 174.196 174.900 0.016 0.000 1.133 829 G CA -0.447 44.624 45.100 -0.049 0.000 0.891 829 G HN 0.509 nan 8.290 nan 0.000 0.485 830 I N 1.407 121.978 120.570 0.001 0.000 2.607 830 I HA 0.308 4.494 4.170 0.026 0.000 0.290 830 I C -0.712 175.388 176.117 -0.028 0.000 1.129 830 I CA -0.649 60.701 61.300 0.085 0.000 1.042 830 I CB 2.563 40.759 38.000 0.328 0.000 1.242 830 I HN 0.223 nan 8.210 nan 0.000 0.421 831 I N 5.078 125.587 120.570 -0.102 0.000 2.353 831 I HA 0.331 4.517 4.170 0.026 0.000 0.293 831 I C -0.919 175.144 176.117 -0.090 0.000 0.992 831 I CA -0.353 60.937 61.300 -0.016 0.000 1.268 831 I CB 1.117 39.105 38.000 -0.021 0.000 1.387 831 I HN 0.325 nan 8.210 nan 0.000 0.478 832 F N 5.980 125.999 119.950 0.115 0.000 2.404 832 F HA 0.450 4.993 4.527 0.026 0.000 0.354 832 F C 0.226 176.099 175.800 0.121 0.000 1.122 832 F CA -0.434 57.636 58.000 0.116 0.000 1.080 832 F CB 1.310 40.380 39.000 0.116 0.000 1.131 832 F HN 0.310 nan 8.300 nan 0.000 0.471 833 K N 2.928 123.473 120.400 0.242 0.000 2.427 833 K HA 0.401 4.737 4.320 0.026 0.000 0.252 833 K C -1.799 174.938 176.600 0.228 0.000 0.931 833 K CA -0.791 55.620 56.287 0.207 0.000 0.793 833 K CB 1.316 33.894 32.500 0.129 0.000 1.211 833 K HN 0.750 nan 8.250 nan 0.000 0.426 834 H N 1.766 120.915 119.070 0.132 0.000 2.492 834 H HA 0.619 5.191 4.556 0.026 0.000 0.345 834 H C 0.449 175.831 175.328 0.090 0.000 1.136 834 H CA 0.842 56.955 56.048 0.108 0.000 1.202 834 H CB 1.932 31.753 29.762 0.099 0.000 1.524 834 H HN 0.763 nan 8.280 nan 0.000 0.506 835 G N 4.115 112.637 108.800 -0.464 0.000 4.077 835 G HA2 -0.118 3.858 3.960 0.026 0.000 0.199 835 G HA3 -0.118 3.858 3.960 0.026 0.000 0.199 835 G C -0.554 174.243 174.900 -0.172 0.000 1.302 835 G CA 0.065 45.027 45.100 -0.229 0.000 0.918 835 G HN 0.610 nan 8.290 nan 0.000 0.369 836 D N 0.495 120.837 120.400 -0.096 0.000 2.497 836 D HA 0.427 5.083 4.640 0.026 0.000 0.243 836 D C -1.356 174.928 176.300 -0.027 0.000 1.039 836 D CA -0.491 53.480 54.000 -0.048 0.000 1.052 836 D CB 1.749 42.557 40.800 0.013 0.000 1.344 836 D HN 0.051 nan 8.370 nan 0.000 0.553 837 D N 1.453 121.852 120.400 -0.002 0.000 2.374 837 D HA 0.047 4.703 4.640 0.026 0.000 0.240 837 D C 0.887 177.217 176.300 0.050 0.000 1.229 837 D CA -0.302 53.707 54.000 0.015 0.000 0.895 837 D CB 0.860 41.665 40.800 0.009 0.000 1.046 837 D HN 0.055 nan 8.370 nan 0.000 0.498 838 L N 3.895 125.152 121.223 0.056 0.000 2.395 838 L HA 0.013 4.369 4.340 0.026 0.000 0.218 838 L C 2.282 179.195 176.870 0.072 0.000 1.130 838 L CA 0.913 55.804 54.840 0.084 0.000 0.826 838 L CB -0.493 41.615 42.059 0.082 0.000 0.941 838 L HN 0.328 nan 8.230 nan 0.000 0.451 839 R N -0.850 119.673 120.500 0.038 0.000 2.096 839 R HA -0.182 4.174 4.340 0.026 0.000 0.235 839 R C 2.114 178.411 176.300 -0.004 0.000 1.127 839 R CA 1.313 57.412 56.100 -0.001 0.000 0.968 839 R CB -0.137 30.147 30.300 -0.027 0.000 0.861 839 R HN 0.485 nan 8.270 nan 0.000 0.440 840 Q N 0.302 120.117 119.800 0.025 0.000 2.079 840 Q HA -0.166 4.190 4.340 0.026 0.000 0.200 840 Q C 1.463 177.516 176.000 0.090 0.000 0.974 840 Q CA 1.800 57.625 55.803 0.037 0.000 0.840 840 Q CB -0.027 28.744 28.738 0.055 0.000 0.898 840 Q HN 0.349 nan 8.270 nan 0.000 0.430 841 D N 0.181 120.684 120.400 0.171 0.000 2.123 841 D HA -0.177 4.478 4.640 0.026 0.000 0.196 841 D C 1.785 178.164 176.300 0.132 0.000 0.992 841 D CA 1.288 55.458 54.000 0.282 0.000 0.833 841 D CB 0.019 41.015 40.800 0.326 0.000 0.954 841 D HN 0.193 nan 8.370 nan 0.000 0.455 842 M N -0.243 119.391 119.600 0.056 0.000 2.080 842 M HA -0.161 4.334 4.480 0.026 0.000 0.260 842 M C 1.754 177.996 176.300 -0.096 0.000 1.068 842 M CA 0.888 56.172 55.300 -0.027 0.000 1.109 842 M CB -0.246 32.313 32.600 -0.068 0.000 1.342 842 M HN 0.112 nan 8.290 nan 0.000 0.405 843 L N 0.467 121.632 121.223 -0.096 0.000 1.994 843 L HA -0.191 4.165 4.340 0.026 0.000 0.208 843 L C 2.424 179.218 176.870 -0.127 0.000 1.071 843 L CA 1.749 56.517 54.840 -0.120 0.000 0.745 843 L CB -1.222 40.776 42.059 -0.101 0.000 0.892 843 L HN 0.261 nan 8.230 nan 0.000 0.431 844 I N -0.982 119.500 120.570 -0.146 0.000 2.179 844 I HA -0.270 3.916 4.170 0.026 0.000 0.242 844 I C 2.487 178.437 176.117 -0.278 0.000 1.088 844 I CA 0.980 62.118 61.300 -0.270 0.000 1.357 844 I CB -1.140 36.527 38.000 -0.555 0.000 1.051 844 I HN 0.185 nan 8.210 nan 0.000 0.409 845 L N 0.248 121.344 121.223 -0.213 0.000 2.081 845 L HA -0.236 4.119 4.340 0.026 0.000 0.212 845 L C 2.548 179.333 176.870 -0.141 0.000 1.080 845 L CA 1.721 56.462 54.840 -0.165 0.000 0.754 845 L CB -1.374 40.599 42.059 -0.143 0.000 0.893 845 L HN 0.279 nan 8.230 nan 0.000 0.433 846 Q N -0.654 119.064 119.800 -0.137 0.000 2.083 846 Q HA -0.048 4.308 4.340 0.026 0.000 0.198 846 Q C 2.277 178.196 176.000 -0.136 0.000 0.969 846 Q CA 1.359 57.086 55.803 -0.127 0.000 0.838 846 Q CB -0.177 28.476 28.738 -0.142 0.000 0.900 846 Q HN 0.491 nan 8.270 nan 0.000 0.436 847 I N -0.284 120.203 120.570 -0.138 0.000 2.361 847 I HA -0.247 3.939 4.170 0.026 0.000 0.251 847 I C 1.508 177.509 176.117 -0.194 0.000 1.133 847 I CA 0.383 61.600 61.300 -0.138 0.000 1.413 847 I CB -0.155 37.788 38.000 -0.095 0.000 1.073 847 I HN 0.206 nan 8.210 nan 0.000 0.424 848 L N 0.562 121.670 121.223 -0.192 0.000 2.093 848 L HA -0.155 4.201 4.340 0.026 0.000 0.208 848 L C 2.563 179.316 176.870 -0.195 0.000 1.085 848 L CA 1.741 56.459 54.840 -0.204 0.000 0.755 848 L CB -0.780 41.186 42.059 -0.154 0.000 0.904 848 L HN 0.108 nan 8.230 nan 0.000 0.435 849 R N -0.896 119.519 120.500 -0.142 0.000 2.075 849 R HA -0.092 4.264 4.340 0.026 0.000 0.232 849 R C 2.280 178.459 176.300 -0.203 0.000 1.126 849 R CA 1.321 57.367 56.100 -0.090 0.000 0.963 849 R CB -0.401 29.908 30.300 0.014 0.000 0.858 849 R HN 0.263 nan 8.270 nan 0.000 0.435 850 I N 0.546 120.950 120.570 -0.277 0.000 2.248 850 I HA -0.349 3.837 4.170 0.026 0.000 0.248 850 I C 2.377 178.224 176.117 -0.450 0.000 1.107 850 I CA 1.531 62.594 61.300 -0.394 0.000 1.373 850 I CB -0.126 37.700 38.000 -0.290 0.000 1.055 850 I HN 0.220 nan 8.210 nan 0.000 0.418 851 M N -0.510 118.789 119.600 -0.502 0.000 2.175 851 M HA -0.181 4.314 4.480 0.026 0.000 0.264 851 M C 2.181 177.913 176.300 -0.947 0.000 1.063 851 M CA 1.587 56.365 55.300 -0.869 0.000 1.119 851 M CB -0.310 31.705 32.600 -0.975 0.000 1.377 851 M HN 0.162 nan 8.290 nan 0.000 0.415 852 E N -0.024 119.911 120.200 -0.442 0.000 2.153 852 E HA -0.170 4.196 4.350 0.026 0.000 0.194 852 E C 2.097 178.650 176.600 -0.078 0.000 0.988 852 E CA 1.686 58.042 56.400 -0.072 0.000 0.811 852 E CB -0.118 29.596 29.700 0.023 0.000 0.746 852 E HN 0.540 nan 8.360 nan 0.000 0.466 853 S N 0.797 116.356 115.700 -0.235 0.000 2.387 853 S HA -0.096 4.390 4.470 0.026 0.000 0.226 853 S C 2.071 176.542 174.600 -0.215 0.000 1.026 853 S CA 0.487 58.551 58.200 -0.225 0.000 0.972 853 S CB -0.382 62.554 63.200 -0.439 0.000 0.814 853 S HN 0.153 nan 8.310 nan 0.000 0.477 854 I N -0.036 120.305 120.570 -0.382 0.000 2.226 854 I HA -0.123 4.063 4.170 0.026 0.000 0.245 854 I C 2.373 178.420 176.117 -0.115 0.000 1.100 854 I CA 1.162 62.194 61.300 -0.446 0.000 1.374 854 I CB -0.373 37.177 38.000 -0.751 0.000 1.057 854 I HN 0.358 nan 8.210 nan 0.000 0.413 855 W N 1.194 122.429 121.300 -0.107 0.000 2.402 855 W HA -0.147 4.528 4.660 0.026 0.000 0.286 855 W C 2.542 179.080 176.519 0.033 0.000 1.221 855 W CA 1.177 58.499 57.345 -0.040 0.000 1.257 855 W CB -0.931 28.491 29.460 -0.063 0.000 1.120 855 W HN 0.312 nan 8.180 nan 0.000 0.551 856 E N 0.498 120.847 120.200 0.248 0.000 2.077 856 E HA -0.225 4.141 4.350 0.026 0.000 0.193 856 E C 2.199 178.887 176.600 0.147 0.000 0.989 856 E CA 2.664 59.199 56.400 0.226 0.000 0.800 856 E CB -0.281 29.507 29.700 0.145 0.000 0.746 856 E HN 0.127 nan 8.360 nan 0.000 0.452 857 T N -0.889 113.724 114.554 0.098 0.000 2.778 857 T HA -0.188 4.178 4.350 0.026 0.000 0.269 857 T C 1.092 175.859 174.700 0.111 0.000 1.050 857 T CA 1.567 63.719 62.100 0.086 0.000 1.137 857 T CB -0.305 68.616 68.868 0.088 0.000 0.860 857 T HN 0.291 nan 8.240 nan 0.000 0.468 858 E N 1.293 121.586 120.200 0.156 0.000 2.499 858 E HA 0.342 4.707 4.350 0.026 0.000 0.207 858 E C -0.172 176.520 176.600 0.153 0.000 1.034 858 E CA -0.201 56.289 56.400 0.149 0.000 1.098 858 E CB 0.118 29.929 29.700 0.185 0.000 1.148 858 E HN 0.425 nan 8.360 nan 0.000 0.447 859 S N 0.669 116.472 115.700 0.171 0.000 3.559 859 S HA -0.196 4.290 4.470 0.026 0.000 0.369 859 S C -0.119 174.672 174.600 0.317 0.000 0.987 859 S CA 0.540 58.879 58.200 0.231 0.000 1.187 859 S CB -1.346 61.937 63.200 0.138 0.000 0.914 859 S HN 0.377 nan 8.310 nan 0.000 0.480 860 L N 1.055 122.458 121.223 0.301 0.000 2.362 860 L HA 0.621 4.977 4.340 0.026 0.000 0.275 860 L C -0.331 176.511 176.870 -0.046 0.000 0.998 860 L CA -0.647 54.246 54.840 0.088 0.000 0.820 860 L CB 1.769 43.797 42.059 -0.051 0.000 1.270 860 L HN 0.076 nan 8.230 nan 0.000 0.415 861 D N 3.111 123.290 120.400 -0.368 0.000 2.440 861 D HA 0.292 4.947 4.640 0.026 0.000 0.239 861 D C 0.058 176.204 176.300 -0.256 0.000 1.084 861 D CA -0.370 53.326 54.000 -0.507 0.000 0.843 861 D CB 1.543 41.688 40.800 -1.092 0.000 1.097 861 D HN 0.214 nan 8.370 nan 0.000 0.531 862 L N 2.711 123.835 121.223 -0.164 0.000 2.640 862 L HA 0.159 4.515 4.340 0.026 0.000 0.230 862 L C 0.519 177.363 176.870 -0.043 0.000 1.123 862 L CA 0.188 54.946 54.840 -0.137 0.000 0.900 862 L CB -1.304 40.516 42.059 -0.399 0.000 1.146 862 L HN 0.674 nan 8.230 nan 0.000 0.484 863 C N 0.594 119.866 119.300 -0.046 0.000 4.209 863 C HA -0.185 4.290 4.460 0.026 0.000 0.305 863 C C 1.146 176.197 174.990 0.103 0.000 1.339 863 C CA -0.680 58.340 59.018 0.005 0.000 2.062 863 C CB -3.410 24.329 27.740 -0.003 0.000 1.307 863 C HN 0.268 nan 8.230 nan 0.000 0.706 864 L N -0.112 121.155 121.223 0.072 0.000 2.473 864 L HA 0.407 4.763 4.340 0.026 0.000 0.268 864 L C 0.667 177.661 176.870 0.206 0.000 1.215 864 L CA 0.021 54.936 54.840 0.124 0.000 0.823 864 L CB 0.345 42.357 42.059 -0.077 0.000 1.099 864 L HN 0.473 nan 8.230 nan 0.000 0.483 865 L N 3.777 125.204 121.223 0.340 0.000 2.495 865 L HA 0.349 4.705 4.340 0.026 0.000 0.248 865 L C -2.241 174.713 176.870 0.140 0.000 1.229 865 L CA -1.502 53.404 54.840 0.110 0.000 0.942 865 L CB 1.237 43.202 42.059 -0.158 0.000 1.242 865 L HN 0.347 nan 8.230 nan 0.000 0.484 866 P HA 0.139 nan 4.420 nan 0.000 0.273 866 P C -0.843 176.398 177.300 -0.099 0.000 1.428 866 P CA -0.074 63.008 63.100 -0.030 0.000 0.995 866 P CB -0.245 31.435 31.700 -0.033 0.000 1.286 867 Y N 0.831 121.159 120.300 0.046 0.000 2.511 867 Y HA 0.420 4.986 4.550 0.027 0.000 0.347 867 Y C 1.188 177.047 175.900 -0.068 0.000 1.257 867 Y CA -0.976 57.089 58.100 -0.058 0.000 1.469 867 Y CB -0.437 37.984 38.460 -0.066 0.000 1.353 867 Y HN 0.395 nan 8.280 nan 0.000 0.617 868 G N 0.120 108.888 108.800 -0.054 0.000 2.441 868 G HA2 0.322 4.297 3.960 0.026 0.000 0.243 868 G HA3 0.322 4.297 3.960 0.026 0.000 0.243 868 G C -1.219 173.626 174.900 -0.092 0.000 1.281 868 G CA -0.131 44.877 45.100 -0.153 0.000 0.854 868 G HN 1.082 nan 8.290 nan 0.000 0.560 869 C N 3.593 122.941 119.300 0.080 0.000 2.989 869 C HA 0.549 5.024 4.460 0.026 0.000 0.397 869 C C -1.379 173.713 174.990 0.169 0.000 1.022 869 C CA -0.940 58.155 59.018 0.128 0.000 1.232 869 C CB 0.181 28.037 27.740 0.193 0.000 1.638 869 C HN 0.608 nan 8.230 nan 0.000 0.534 870 I N 5.009 125.649 120.570 0.117 0.000 2.512 870 I HA 0.289 4.475 4.170 0.026 0.000 0.287 870 I C 0.354 176.515 176.117 0.072 0.000 1.069 870 I CA 0.090 61.458 61.300 0.113 0.000 1.056 870 I CB 1.756 39.745 38.000 -0.017 0.000 1.229 870 I HN 0.733 nan 8.210 nan 0.000 0.429 871 S N 3.638 119.407 115.700 0.115 0.000 2.488 871 S HA 0.213 4.699 4.470 0.026 0.000 0.278 871 S C 1.228 175.914 174.600 0.144 0.000 1.259 871 S CA -0.006 58.257 58.200 0.106 0.000 1.061 871 S CB 0.214 63.465 63.200 0.085 0.000 0.910 871 S HN 0.780 nan 8.310 nan 0.000 0.491 872 T N 2.106 116.751 114.554 0.151 0.000 3.015 872 T HA 0.500 4.866 4.350 0.026 0.000 0.250 872 T C 0.862 175.674 174.700 0.188 0.000 1.057 872 T CA 0.238 62.468 62.100 0.217 0.000 1.066 872 T CB 0.242 69.251 68.868 0.235 0.000 0.959 872 T HN 0.767 nan 8.240 nan 0.000 0.488 873 G N 0.164 109.056 108.800 0.153 0.000 2.554 873 G HA2 0.393 4.369 3.960 0.026 0.000 0.306 873 G HA3 0.393 4.369 3.960 0.026 0.000 0.306 873 G C -2.058 172.916 174.900 0.123 0.000 1.320 873 G CA -0.713 44.469 45.100 0.136 0.000 0.800 873 G HN 0.040 nan 8.290 nan 0.000 0.481 874 D N 1.096 121.571 120.400 0.126 0.000 2.349 874 D HA 0.112 4.768 4.640 0.026 0.000 0.266 874 D C 0.478 176.846 176.300 0.114 0.000 1.293 874 D CA 0.410 54.478 54.000 0.114 0.000 0.926 874 D CB 0.130 41.002 40.800 0.121 0.000 1.090 874 D HN 0.483 nan 8.370 nan 0.000 0.502 875 K N 1.920 122.344 120.400 0.040 0.000 3.016 875 K HA -0.235 4.101 4.320 0.026 0.000 0.262 875 K C 0.010 176.586 176.600 -0.040 0.000 1.043 875 K CA 0.483 56.734 56.287 -0.061 0.000 0.761 875 K CB -1.306 31.067 32.500 -0.212 0.000 1.230 875 K HN 0.581 nan 8.250 nan 0.000 0.485 876 I N -1.494 119.133 120.570 0.096 0.000 2.722 876 I HA 0.622 4.808 4.170 0.026 0.000 0.295 876 I C 0.040 176.253 176.117 0.160 0.000 1.161 876 I CA -0.111 61.293 61.300 0.173 0.000 1.032 876 I CB 2.122 40.293 38.000 0.285 0.000 1.244 876 I HN 0.169 nan 8.210 nan 0.000 0.421 877 G N 5.982 114.874 108.800 0.155 0.000 2.341 877 G HA2 0.381 4.356 3.960 0.026 0.000 0.299 877 G HA3 0.381 4.356 3.960 0.026 0.000 0.299 877 G C -1.680 173.143 174.900 -0.128 0.000 1.274 877 G CA -0.747 44.397 45.100 0.074 0.000 0.853 877 G HN 0.712 nan 8.290 nan 0.000 0.493 878 M N -0.688 118.753 119.600 -0.266 0.000 2.644 878 M HA 0.903 5.399 4.480 0.026 0.000 0.316 878 M C -0.959 175.240 176.300 -0.168 0.000 1.200 878 M CA -0.789 54.236 55.300 -0.458 0.000 0.944 878 M CB 2.196 34.433 32.600 -0.605 0.000 1.691 878 M HN 0.332 nan 8.290 nan 0.000 0.471 879 I N 0.437 120.900 120.570 -0.179 0.000 2.610 879 I HA 0.250 4.436 4.170 0.026 0.000 0.289 879 I C -0.569 175.381 176.117 -0.277 0.000 1.163 879 I CA -0.547 60.660 61.300 -0.155 0.000 1.044 879 I CB 2.230 40.154 38.000 -0.127 0.000 1.251 879 I HN 0.840 nan 8.210 nan 0.000 0.424 880 E N 6.153 126.007 120.200 -0.576 0.000 2.465 880 E HA 0.120 4.486 4.350 0.026 0.000 0.260 880 E C -0.727 175.699 176.600 -0.290 0.000 0.980 880 E CA -0.047 55.969 56.400 -0.640 0.000 0.927 880 E CB 0.765 29.934 29.700 -0.885 0.000 0.934 880 E HN 0.452 nan 8.360 nan 0.000 0.459 881 I N 5.367 125.797 120.570 -0.233 0.000 2.379 881 I HA 0.027 4.213 4.170 0.026 0.000 0.290 881 I C -0.276 175.774 176.117 -0.111 0.000 1.063 881 I CA -0.511 60.624 61.300 -0.274 0.000 1.351 881 I CB 1.082 38.731 38.000 -0.586 0.000 1.410 881 I HN 0.317 nan 8.210 nan 0.000 0.505 882 V N 7.913 127.809 119.914 -0.029 0.000 2.488 882 V HA 0.146 4.281 4.120 0.026 0.000 0.277 882 V C 0.590 176.758 176.094 0.123 0.000 1.046 882 V CA -0.713 61.604 62.300 0.027 0.000 0.986 882 V CB 0.820 32.638 31.823 -0.009 0.000 0.989 882 V HN 0.532 nan 8.190 nan 0.000 0.475 883 K N 2.796 123.264 120.400 0.114 0.000 2.219 883 K HA 0.124 4.460 4.320 0.026 0.000 0.258 883 K C 0.421 177.141 176.600 0.199 0.000 1.008 883 K CA -0.088 56.293 56.287 0.158 0.000 0.928 883 K CB 0.138 32.711 32.500 0.123 0.000 0.983 883 K HN 0.800 nan 8.250 nan 0.000 0.484 884 D N -0.520 120.010 120.400 0.218 0.000 2.697 884 D HA -0.219 4.437 4.640 0.026 0.000 0.235 884 D C -0.634 175.854 176.300 0.313 0.000 1.167 884 D CA 0.993 55.132 54.000 0.231 0.000 0.656 884 D CB -0.889 40.013 40.800 0.171 0.000 1.025 884 D HN 0.550 nan 8.370 nan 0.000 0.419 885 A N 0.316 123.336 122.820 0.333 0.000 2.475 885 A HA 0.830 5.166 4.320 0.026 0.000 0.301 885 A C 0.191 177.928 177.584 0.255 0.000 1.059 885 A CA 0.085 52.331 52.037 0.349 0.000 0.710 885 A CB 2.583 21.837 19.000 0.423 0.000 1.288 885 A HN 0.293 nan 8.150 nan 0.000 0.408 886 T N -1.231 113.392 114.554 0.115 0.000 2.853 886 T HA 0.667 5.032 4.350 0.026 0.000 0.311 886 T C -0.195 174.394 174.700 -0.185 0.000 1.307 886 T CA -0.282 61.809 62.100 -0.016 0.000 1.019 886 T CB 1.211 70.078 68.868 -0.002 0.000 1.264 886 T HN 0.695 nan 8.240 nan 0.000 0.497 887 T N 3.126 117.569 114.554 -0.185 0.000 2.898 887 T HA 0.274 4.640 4.350 0.026 0.000 0.301 887 T C 1.680 176.227 174.700 -0.255 0.000 1.049 887 T CA -0.809 61.150 62.100 -0.235 0.000 1.095 887 T CB 0.321 69.076 68.868 -0.189 0.000 0.976 887 T HN 0.540 nan 8.240 nan 0.000 0.539 888 I N 1.475 121.911 120.570 -0.223 0.000 2.179 888 I HA -0.167 4.018 4.170 0.026 0.000 0.242 888 I C 2.765 178.811 176.117 -0.117 0.000 1.088 888 I CA 1.426 62.639 61.300 -0.145 0.000 1.357 888 I CB -1.842 36.151 38.000 -0.012 0.000 1.051 888 I HN 0.780 nan 8.210 nan 0.000 0.409 889 A N 0.815 123.554 122.820 -0.135 0.000 1.892 889 A HA -0.290 4.046 4.320 0.026 0.000 0.218 889 A C 2.407 179.950 177.584 -0.069 0.000 1.188 889 A CA 2.266 54.255 52.037 -0.080 0.000 0.631 889 A CB -0.636 18.281 19.000 -0.138 0.000 0.822 889 A HN 0.297 nan 8.150 nan 0.000 0.447 890 K N -0.514 119.823 120.400 -0.106 0.000 2.057 890 K HA 0.001 4.336 4.320 0.026 0.000 0.207 890 K C 1.727 178.264 176.600 -0.105 0.000 1.049 890 K CA 1.432 57.664 56.287 -0.092 0.000 0.931 890 K CB -0.339 32.103 32.500 -0.096 0.000 0.714 890 K HN 0.563 nan 8.250 nan 0.000 0.440 891 I N 0.764 121.221 120.570 -0.189 0.000 2.226 891 I HA -0.309 3.877 4.170 0.026 0.000 0.245 891 I C 2.278 178.344 176.117 -0.086 0.000 1.100 891 I CA 1.091 62.258 61.300 -0.223 0.000 1.374 891 I CB -0.166 37.538 38.000 -0.493 0.000 1.057 891 I HN 0.256 nan 8.210 nan 0.000 0.413 892 Q N 0.357 120.122 119.800 -0.060 0.000 2.167 892 Q HA -0.211 4.145 4.340 0.026 0.000 0.202 892 Q C 1.806 177.753 176.000 -0.088 0.000 0.970 892 Q CA 1.325 57.109 55.803 -0.032 0.000 0.855 892 Q CB -0.213 28.560 28.738 0.059 0.000 0.911 892 Q HN 0.617 nan 8.270 nan 0.000 0.438 893 Q N 0.042 119.794 119.800 -0.080 0.000 2.322 893 Q HA 0.009 4.364 4.340 0.026 0.000 0.203 893 Q C 1.673 177.635 176.000 -0.063 0.000 0.923 893 Q CA 0.391 56.139 55.803 -0.092 0.000 0.949 893 Q CB 0.369 29.069 28.738 -0.063 0.000 1.039 893 Q HN 0.322 nan 8.270 nan 0.000 0.496 894 S N -1.177 114.500 115.700 -0.039 0.000 2.444 894 S HA -0.101 4.385 4.470 0.026 0.000 0.223 894 S C 2.088 176.681 174.600 -0.011 0.000 1.054 894 S CA 0.914 59.110 58.200 -0.008 0.000 0.947 894 S CB -0.544 62.679 63.200 0.038 0.000 0.850 894 S HN 0.364 nan 8.310 nan 0.000 0.527 895 T N 0.268 114.816 114.554 -0.010 0.000 3.085 895 T HA 0.166 4.532 4.350 0.026 0.000 0.263 895 T C 1.290 175.960 174.700 -0.049 0.000 1.127 895 T CA 1.026 63.115 62.100 -0.018 0.000 1.103 895 T CB -0.330 68.538 68.868 -0.000 0.000 0.921 895 T HN 0.569 nan 8.240 nan 0.000 0.510 896 V N -3.150 116.720 119.914 -0.075 0.000 4.732 896 V HA 0.625 4.761 4.120 0.026 0.000 0.145 896 V C 1.665 177.680 176.094 -0.131 0.000 1.249 896 V CA 0.116 62.351 62.300 -0.109 0.000 1.164 896 V CB -1.034 30.703 31.823 -0.144 0.000 1.415 896 V HN 0.469 nan 8.190 nan 0.000 0.617 897 G N 3.076 111.773 108.800 -0.173 0.000 2.372 897 G HA2 -0.264 3.712 3.960 0.026 0.000 0.290 897 G HA3 -0.264 3.712 3.960 0.026 0.000 0.290 897 G C -0.187 174.584 174.900 -0.215 0.000 0.965 897 G CA 1.045 46.026 45.100 -0.198 0.000 1.263 897 G HN 0.934 nan 8.290 nan 0.000 0.498 898 N N -0.769 117.759 118.700 -0.287 0.000 2.645 898 N HA 0.582 5.338 4.740 0.026 0.000 0.308 898 N C 0.396 175.687 175.510 -0.365 0.000 1.335 898 N CA -0.408 52.487 53.050 -0.259 0.000 0.909 898 N CB 0.492 38.847 38.487 -0.220 0.000 1.109 898 N HN 0.076 nan 8.380 nan 0.000 0.555 899 T N -0.565 113.799 114.554 -0.316 0.000 3.579 899 T HA 0.365 4.731 4.350 0.026 0.000 0.328 899 T C 0.874 175.289 174.700 -0.475 0.000 1.481 899 T CA 0.401 62.306 62.100 -0.326 0.000 1.144 899 T CB -1.439 67.359 68.868 -0.116 0.000 1.205 899 T HN 0.732 nan 8.240 nan 0.000 0.812 900 G N 2.905 111.034 108.800 -1.118 0.000 2.225 900 G HA2 -0.181 3.795 3.960 0.026 0.000 0.254 900 G HA3 -0.181 3.795 3.960 0.026 0.000 0.254 900 G C 0.442 174.790 174.900 -0.920 0.000 0.988 900 G CA -0.041 44.424 45.100 -1.059 0.000 0.625 900 G HN 1.198 nan 8.290 nan 0.000 0.527 901 A N -0.084 122.264 122.820 -0.787 0.000 2.511 901 A HA 0.642 4.977 4.320 0.026 0.000 0.242 901 A C -0.084 176.828 177.584 -1.120 0.000 1.069 901 A CA 0.523 52.147 52.037 -0.688 0.000 0.763 901 A CB 0.070 18.797 19.000 -0.456 0.000 1.001 901 A HN 0.739 nan 8.150 nan 0.000 0.498 902 F N 0.776 120.288 119.950 -0.731 0.000 2.579 902 F HA 0.549 5.092 4.527 0.027 0.000 0.324 902 F C 0.515 175.941 175.800 -0.623 0.000 1.058 902 F CA -0.581 56.854 58.000 -0.943 0.000 0.944 902 F CB 2.333 40.077 39.000 -2.093 0.000 1.245 902 F HN 0.403 nan 8.300 nan 0.000 0.477 903 K N 0.807 121.107 120.400 -0.167 0.000 2.397 903 K HA 0.261 4.596 4.320 0.026 0.000 0.253 903 K C -0.812 175.853 176.600 0.108 0.000 0.932 903 K CA -0.731 55.532 56.287 -0.039 0.000 0.795 903 K CB 2.220 34.681 32.500 -0.066 0.000 1.159 903 K HN 0.477 nan 8.250 nan 0.000 0.424 904 D N 1.556 121.998 120.400 0.070 0.000 2.224 904 D HA -0.094 4.562 4.640 0.026 0.000 0.205 904 D C 0.844 177.004 176.300 -0.234 0.000 0.965 904 D CA 1.371 55.379 54.000 0.014 0.000 0.852 904 D CB 0.422 41.154 40.800 -0.114 0.000 0.947 904 D HN 0.575 nan 8.370 nan 0.000 0.494 905 E N -0.348 119.629 120.200 -0.372 0.000 2.431 905 E HA -0.003 4.363 4.350 0.026 0.000 0.200 905 E C 2.045 178.441 176.600 -0.340 0.000 0.995 905 E CA -0.068 55.967 56.400 -0.609 0.000 0.915 905 E CB 0.707 29.965 29.700 -0.738 0.000 0.930 905 E HN 0.084 nan 8.360 nan 0.000 0.496 906 V N 0.561 120.435 119.914 -0.067 0.000 2.490 906 V HA -0.240 3.896 4.120 0.026 0.000 0.250 906 V C 2.234 178.412 176.094 0.141 0.000 1.061 906 V CA 1.241 63.596 62.300 0.092 0.000 1.064 906 V CB -0.639 31.244 31.823 0.099 0.000 0.670 906 V HN 0.292 nan 8.190 nan 0.000 0.461 907 L N 0.570 121.852 121.223 0.099 0.000 2.005 907 L HA -0.177 4.178 4.340 0.026 0.000 0.207 907 L C 2.697 179.677 176.870 0.183 0.000 1.072 907 L CA 2.221 57.134 54.840 0.122 0.000 0.744 907 L CB -0.606 41.512 42.059 0.099 0.000 0.895 907 L HN 0.502 nan 8.230 nan 0.000 0.433 908 N N -0.764 118.013 118.700 0.128 0.000 2.149 908 N HA -0.249 4.506 4.740 0.026 0.000 0.188 908 N C 1.679 177.326 175.510 0.227 0.000 1.019 908 N CA 1.459 54.622 53.050 0.188 0.000 0.857 908 N CB -0.065 38.572 38.487 0.249 0.000 0.997 908 N HN 0.544 nan 8.380 nan 0.000 0.426 909 H N -2.029 117.164 119.070 0.206 0.000 2.395 909 H HA -0.105 4.467 4.556 0.026 0.000 0.299 909 H C 1.596 177.010 175.328 0.143 0.000 1.070 909 H CA 1.168 57.287 56.048 0.118 0.000 1.356 909 H CB -0.108 29.706 29.762 0.087 0.000 1.401 909 H HN 0.375 nan 8.280 nan 0.000 0.524 910 W N 1.487 122.879 121.300 0.152 0.000 2.358 910 W HA -0.165 4.511 4.660 0.026 0.000 0.303 910 W C 1.677 178.260 176.519 0.107 0.000 1.208 910 W CA 1.260 58.666 57.345 0.102 0.000 1.274 910 W CB -0.325 29.186 29.460 0.085 0.000 1.138 910 W HN 0.061 nan 8.180 nan 0.000 0.515 911 L N 0.707 122.174 121.223 0.407 0.000 2.046 911 L HA -0.230 4.125 4.340 0.026 0.000 0.208 911 L C 2.528 179.508 176.870 0.183 0.000 1.077 911 L CA 1.696 56.714 54.840 0.297 0.000 0.747 911 L CB -0.971 41.357 42.059 0.449 0.000 0.896 911 L HN -0.089 nan 8.230 nan 0.000 0.432 912 K N 1.120 121.562 120.400 0.069 0.000 2.063 912 K HA -0.237 4.099 4.320 0.026 0.000 0.208 912 K C 1.871 178.362 176.600 -0.181 0.000 1.048 912 K CA 2.022 58.124 56.287 -0.309 0.000 0.928 912 K CB -0.140 32.069 32.500 -0.484 0.000 0.713 912 K HN 0.568 nan 8.250 nan 0.000 0.442 913 E N -0.621 119.488 120.200 -0.153 0.000 2.285 913 E HA -0.096 4.270 4.350 0.026 0.000 0.194 913 E C 1.247 177.709 176.600 -0.230 0.000 0.997 913 E CA 0.745 57.038 56.400 -0.178 0.000 0.845 913 E CB 0.033 29.636 29.700 -0.162 0.000 0.782 913 E HN 0.029 nan 8.360 nan 0.000 0.491 914 K N 0.689 120.899 120.400 -0.317 0.000 2.400 914 K HA 0.141 4.477 4.320 0.026 0.000 0.194 914 K C 0.083 176.595 176.600 -0.146 0.000 1.033 914 K CA 0.228 56.315 56.287 -0.332 0.000 1.021 914 K CB 0.657 32.787 32.500 -0.617 0.000 0.808 914 K HN 0.029 nan 8.250 nan 0.000 0.505 915 S N 2.931 118.592 115.700 -0.065 0.000 2.448 915 S HA 0.209 4.694 4.470 0.026 0.000 0.320 915 S C -1.901 172.694 174.600 -0.007 0.000 1.071 915 S CA -1.212 56.998 58.200 0.017 0.000 1.113 915 S CB 1.663 64.957 63.200 0.158 0.000 0.972 915 S HN -0.013 nan 8.310 nan 0.000 0.465 916 P HA -0.010 nan 4.420 nan 0.000 0.223 916 P C 0.482 177.781 177.300 -0.002 0.000 1.151 916 P CA 0.815 63.905 63.100 -0.017 0.000 0.787 916 P CB -0.174 31.517 31.700 -0.015 0.000 0.788 917 T N -4.278 110.290 114.554 0.024 0.000 2.908 917 T HA 0.329 4.695 4.350 0.026 0.000 0.290 917 T C 0.912 175.661 174.700 0.081 0.000 1.034 917 T CA -0.781 61.341 62.100 0.037 0.000 1.010 917 T CB 2.288 71.177 68.868 0.036 0.000 1.068 917 T HN -0.227 nan 8.240 nan 0.000 0.481 918 E N 0.367 120.618 120.200 0.083 0.000 2.204 918 E HA -0.156 4.210 4.350 0.026 0.000 0.195 918 E C 1.666 178.370 176.600 0.173 0.000 0.990 918 E CA 0.895 57.387 56.400 0.153 0.000 0.821 918 E CB 0.099 29.866 29.700 0.113 0.000 0.750 918 E HN 0.835 nan 8.360 nan 0.000 0.477 919 E N 0.829 121.091 120.200 0.104 0.000 2.012 919 E HA -0.216 4.150 4.350 0.026 0.000 0.197 919 E C 1.912 178.557 176.600 0.074 0.000 1.007 919 E CA 1.358 57.803 56.400 0.076 0.000 0.816 919 E CB 0.081 29.810 29.700 0.048 0.000 0.762 919 E HN 0.076 nan 8.360 nan 0.000 0.451 920 K N -0.279 120.168 120.400 0.077 0.000 2.209 920 K HA -0.159 4.177 4.320 0.026 0.000 0.204 920 K C 1.914 178.575 176.600 0.103 0.000 1.048 920 K CA 1.107 57.435 56.287 0.068 0.000 0.940 920 K CB -0.259 32.275 32.500 0.058 0.000 0.729 920 K HN 0.142 nan 8.250 nan 0.000 0.451 921 F N 2.020 121.974 119.950 0.007 0.000 2.113 921 F HA -0.172 4.370 4.527 0.026 0.000 0.297 921 F C 2.115 177.924 175.800 0.016 0.000 1.103 921 F CA 1.412 59.417 58.000 0.009 0.000 1.248 921 F CB -0.051 38.954 39.000 0.008 0.000 0.999 921 F HN -0.046 nan 8.300 nan 0.000 0.475 922 Q N 0.505 120.216 119.800 -0.148 0.000 2.167 922 Q HA -0.074 4.282 4.340 0.026 0.000 0.202 922 Q C 2.479 178.376 176.000 -0.170 0.000 0.970 922 Q CA 1.347 57.006 55.803 -0.239 0.000 0.855 922 Q CB -1.012 27.713 28.738 -0.022 0.000 0.911 922 Q HN 0.539 nan 8.270 nan 0.000 0.438 923 A N 0.992 123.765 122.820 -0.078 0.000 1.969 923 A HA -0.048 4.288 4.320 0.026 0.000 0.218 923 A C 2.318 179.870 177.584 -0.053 0.000 1.169 923 A CA 1.633 53.645 52.037 -0.043 0.000 0.635 923 A CB -0.519 18.474 19.000 -0.012 0.000 0.810 923 A HN 0.348 nan 8.150 nan 0.000 0.445 924 A N -0.472 122.297 122.820 -0.086 0.000 1.877 924 A HA -0.032 4.304 4.320 0.026 0.000 0.216 924 A C 2.207 179.735 177.584 -0.094 0.000 1.186 924 A CA 1.856 53.861 52.037 -0.055 0.000 0.620 924 A CB -0.955 18.029 19.000 -0.027 0.000 0.822 924 A HN 0.402 nan 8.150 nan 0.000 0.443 925 V N 0.213 119.942 119.914 -0.309 0.000 2.427 925 V HA -0.251 3.885 4.120 0.026 0.000 0.248 925 V C 2.542 178.560 176.094 -0.127 0.000 1.051 925 V CA 2.372 64.480 62.300 -0.320 0.000 1.048 925 V CB -0.732 30.713 31.823 -0.629 0.000 0.666 925 V HN 0.852 nan 8.190 nan 0.000 0.456 926 E N 0.876 121.025 120.200 -0.084 0.000 2.051 926 E HA -0.273 4.093 4.350 0.026 0.000 0.192 926 E C 2.377 179.104 176.600 0.210 0.000 0.991 926 E CA 1.641 58.093 56.400 0.086 0.000 0.799 926 E CB -0.317 29.443 29.700 0.100 0.000 0.748 926 E HN 0.447 nan 8.360 nan 0.000 0.449 927 R N -0.928 119.645 120.500 0.122 0.000 2.152 927 R HA -0.140 4.216 4.340 0.026 0.000 0.232 927 R C 2.075 178.481 176.300 0.176 0.000 1.117 927 R CA 1.339 57.516 56.100 0.128 0.000 0.981 927 R CB -0.362 29.980 30.300 0.072 0.000 0.870 927 R HN 0.334 nan 8.270 nan 0.000 0.451 928 F N -0.058 119.910 119.950 0.030 0.000 2.206 928 F HA -0.114 4.429 4.527 0.027 0.000 0.298 928 F C 1.718 177.535 175.800 0.028 0.000 1.090 928 F CA 1.038 59.039 58.000 0.002 0.000 1.323 928 F CB -0.038 38.924 39.000 -0.063 0.000 1.028 928 F HN -0.216 nan 8.300 nan 0.000 0.492 929 V N -0.476 119.514 119.914 0.126 0.000 2.407 929 V HA -0.308 3.827 4.120 0.026 0.000 0.248 929 V C 1.984 178.056 176.094 -0.037 0.000 1.055 929 V CA 1.990 64.328 62.300 0.064 0.000 1.049 929 V CB -1.064 30.811 31.823 0.088 0.000 0.662 929 V HN 0.355 nan 8.190 nan 0.000 0.455 930 Y N 1.270 121.539 120.300 -0.051 0.000 2.176 930 Y HA -0.185 4.381 4.550 0.026 0.000 0.291 930 Y C 2.962 178.789 175.900 -0.123 0.000 1.122 930 Y CA 1.763 59.796 58.100 -0.111 0.000 1.128 930 Y CB -0.576 37.813 38.460 -0.117 0.000 1.005 930 Y HN 0.365 nan 8.280 nan 0.000 0.509 931 S N -1.494 114.256 115.700 0.083 0.000 2.368 931 S HA -0.250 4.236 4.470 0.026 0.000 0.224 931 S C 2.157 176.811 174.600 0.090 0.000 1.029 931 S CA 1.088 59.353 58.200 0.108 0.000 0.988 931 S CB -1.365 61.930 63.200 0.158 0.000 0.838 931 S HN 0.574 nan 8.310 nan 0.000 0.462 932 C N 2.077 121.281 119.300 -0.160 0.000 2.413 932 C HA 0.152 4.627 4.460 0.026 0.000 0.277 932 C C 3.124 178.173 174.990 0.098 0.000 1.265 932 C CA 0.834 59.751 59.018 -0.168 0.000 1.752 932 C CB -1.798 25.586 27.740 -0.593 0.000 1.998 932 C HN 0.707 nan 8.230 nan 0.000 0.489 933 A N 0.207 123.041 122.820 0.022 0.000 1.898 933 A HA 0.132 4.468 4.320 0.026 0.000 0.216 933 A C 2.452 179.874 177.584 -0.270 0.000 1.181 933 A CA 1.968 53.868 52.037 -0.229 0.000 0.620 933 A CB -1.411 17.307 19.000 -0.471 0.000 0.819 933 A HN 0.635 nan 8.150 nan 0.000 0.442 934 G N -1.479 107.180 108.800 -0.236 0.000 2.446 934 G HA2 -0.243 3.732 3.960 0.026 0.000 0.217 934 G HA3 -0.243 3.732 3.960 0.026 0.000 0.217 934 G C 1.489 176.273 174.900 -0.193 0.000 1.168 934 G CA 1.265 46.189 45.100 -0.293 0.000 0.771 934 G HN 0.559 nan 8.290 nan 0.000 0.551 935 Y N 0.062 120.346 120.300 -0.027 0.000 2.314 935 Y HA -0.076 4.490 4.550 0.026 0.000 0.293 935 Y C 3.128 178.973 175.900 -0.093 0.000 1.129 935 Y CA 0.735 58.798 58.100 -0.063 0.000 1.201 935 Y CB -0.284 38.126 38.460 -0.083 0.000 0.999 935 Y HN 0.225 nan 8.280 nan 0.000 0.541 936 C N -1.252 118.061 119.300 0.022 0.000 2.429 936 C HA -0.125 4.351 4.460 0.026 0.000 0.277 936 C C 2.692 177.589 174.990 -0.156 0.000 1.262 936 C CA 0.774 59.653 59.018 -0.232 0.000 1.733 936 C CB -1.054 26.367 27.740 -0.532 0.000 2.010 936 C HN 0.334 nan 8.230 nan 0.000 0.483 937 V N 1.256 121.130 119.914 -0.065 0.000 2.239 937 V HA -0.133 4.003 4.120 0.026 0.000 0.242 937 V C 2.755 179.001 176.094 0.253 0.000 1.038 937 V CA 2.126 64.462 62.300 0.059 0.000 1.002 937 V CB -1.457 30.288 31.823 -0.131 0.000 0.641 937 V HN 0.539 nan 8.190 nan 0.000 0.449 938 A N -0.631 122.315 122.820 0.209 0.000 1.896 938 A HA -0.359 3.976 4.320 0.026 0.000 0.220 938 A C 2.432 180.107 177.584 0.151 0.000 1.206 938 A CA 3.120 55.246 52.037 0.148 0.000 0.647 938 A CB -1.290 17.729 19.000 0.032 0.000 0.828 938 A HN 0.471 nan 8.150 nan 0.000 0.455 939 T N -2.020 112.631 114.554 0.162 0.000 2.904 939 T HA -0.055 4.311 4.350 0.026 0.000 0.267 939 T C 1.521 176.416 174.700 0.325 0.000 1.059 939 T CA 1.388 63.611 62.100 0.204 0.000 1.137 939 T CB -0.375 68.580 68.868 0.145 0.000 0.879 939 T HN 0.446 nan 8.240 nan 0.000 0.467 940 F N 1.511 121.622 119.950 0.268 0.000 2.102 940 F HA -0.063 4.479 4.527 0.026 0.000 0.298 940 F C 2.168 178.194 175.800 0.376 0.000 1.105 940 F CA 0.969 59.193 58.000 0.373 0.000 1.239 940 F CB -0.765 38.486 39.000 0.419 0.000 0.991 940 F HN -0.066 nan 8.300 nan 0.000 0.474 941 V N 0.981 121.064 119.914 0.282 0.000 2.392 941 V HA -0.300 3.835 4.120 0.026 0.000 0.249 941 V C 2.236 178.370 176.094 0.066 0.000 1.059 941 V CA 2.014 64.390 62.300 0.126 0.000 1.051 941 V CB -0.701 31.236 31.823 0.191 0.000 0.658 941 V HN 0.392 nan 8.190 nan 0.000 0.455 942 L N -0.098 121.199 121.223 0.125 0.000 2.592 942 L HA 0.334 4.690 4.340 0.026 0.000 0.227 942 L C 1.638 178.594 176.870 0.143 0.000 1.127 942 L CA 0.692 55.629 54.840 0.163 0.000 0.884 942 L CB -0.355 41.790 42.059 0.144 0.000 1.065 942 L HN 0.519 nan 8.230 nan 0.000 0.457 943 G N 1.927 110.751 108.800 0.041 0.000 2.179 943 G HA2 -0.300 3.676 3.960 0.026 0.000 0.257 943 G HA3 -0.300 3.676 3.960 0.026 0.000 0.257 943 G C 0.594 175.452 174.900 -0.071 0.000 1.010 943 G CA 0.607 45.507 45.100 -0.333 0.000 0.736 943 G HN 0.609 nan 8.290 nan 0.000 0.513 944 I N -3.175 117.464 120.570 0.115 0.000 3.654 944 I HA 0.581 4.767 4.170 0.026 0.000 0.337 944 I C 1.420 177.735 176.117 0.330 0.000 1.568 944 I CA 0.107 61.535 61.300 0.212 0.000 1.115 944 I CB 0.216 38.370 38.000 0.255 0.000 1.300 944 I HN -0.000 nan 8.210 nan 0.000 0.471 945 G N 0.751 109.752 108.800 0.336 0.000 2.511 945 G HA2 -0.159 3.817 3.960 0.026 0.000 0.217 945 G HA3 -0.159 3.817 3.960 0.026 0.000 0.217 945 G C 0.461 175.603 174.900 0.403 0.000 1.133 945 G CA 0.260 45.635 45.100 0.458 0.000 0.792 945 G HN 0.440 nan 8.290 nan 0.000 0.539 946 D N 1.059 121.627 120.400 0.280 0.000 2.483 946 D HA 0.183 4.839 4.640 0.026 0.000 0.220 946 D C 0.035 176.446 176.300 0.185 0.000 1.173 946 D CA -0.270 53.853 54.000 0.205 0.000 0.964 946 D CB 0.075 40.970 40.800 0.159 0.000 1.046 946 D HN -0.041 nan 8.370 nan 0.000 0.517 947 R N 1.951 122.545 120.500 0.156 0.000 2.711 947 R HA 0.268 4.623 4.340 0.026 0.000 0.284 947 R C -0.248 176.066 176.300 0.023 0.000 0.968 947 R CA -1.005 55.139 56.100 0.074 0.000 0.924 947 R CB 0.656 30.932 30.300 -0.040 0.000 1.162 947 R HN 0.437 nan 8.270 nan 0.000 0.465 948 H N 1.989 120.974 119.070 -0.141 0.000 2.848 948 H HA 0.061 4.633 4.556 0.026 0.000 0.317 948 H C 1.069 176.218 175.328 -0.298 0.000 1.046 948 H CA 0.332 56.199 56.048 -0.301 0.000 1.470 948 H CB 0.480 29.860 29.762 -0.637 0.000 1.483 948 H HN 0.413 nan 8.280 nan 0.000 0.548 949 N N 3.061 121.376 118.700 -0.642 0.000 2.228 949 N HA -0.273 4.482 4.740 0.026 0.000 0.199 949 N C 1.163 176.389 175.510 -0.474 0.000 0.985 949 N CA 1.672 54.401 53.050 -0.534 0.000 0.909 949 N CB -0.126 38.023 38.487 -0.565 0.000 1.020 949 N HN 0.721 nan 8.380 nan 0.000 0.472 950 D N -0.049 120.000 120.400 -0.586 0.000 2.149 950 D HA -0.061 4.595 4.640 0.026 0.000 0.198 950 D C 0.483 176.609 176.300 -0.289 0.000 0.990 950 D CA 0.979 54.773 54.000 -0.343 0.000 0.839 950 D CB -0.323 40.325 40.800 -0.252 0.000 0.948 950 D HN 0.474 nan 8.370 nan 0.000 0.460 951 N N -1.049 117.464 118.700 -0.311 0.000 2.279 951 N HA 0.235 4.991 4.740 0.026 0.000 0.226 951 N C -0.502 174.776 175.510 -0.386 0.000 1.126 951 N CA -0.153 52.711 53.050 -0.311 0.000 0.846 951 N CB 1.048 39.372 38.487 -0.272 0.000 1.050 951 N HN 0.128 nan 8.380 nan 0.000 0.502 952 I N 0.761 121.102 120.570 -0.382 0.000 2.474 952 I HA 0.402 4.588 4.170 0.026 0.000 0.294 952 I C -0.348 175.529 176.117 -0.400 0.000 1.005 952 I CA -0.549 60.508 61.300 -0.404 0.000 1.113 952 I CB 1.728 39.561 38.000 -0.278 0.000 1.289 952 I HN -0.144 nan 8.210 nan 0.000 0.436 953 M N 5.887 125.130 119.600 -0.596 0.000 2.727 953 M HA 0.631 5.127 4.480 0.026 0.000 0.300 953 M C -1.129 174.854 176.300 -0.528 0.000 1.246 953 M CA -0.850 54.036 55.300 -0.690 0.000 0.835 953 M CB 3.325 35.209 32.600 -1.193 0.000 1.755 953 M HN 0.476 nan 8.290 nan 0.000 0.473 954 I N 0.434 120.842 120.570 -0.269 0.000 2.827 954 I HA 0.436 4.622 4.170 0.026 0.000 0.298 954 I C -0.312 175.960 176.117 0.260 0.000 1.235 954 I CA -0.316 61.004 61.300 0.033 0.000 1.021 954 I CB 2.570 40.568 38.000 -0.004 0.000 1.259 954 I HN 0.867 nan 8.210 nan 0.000 0.427 955 T N 1.188 115.992 114.554 0.416 0.000 2.824 955 T HA 0.317 4.683 4.350 0.026 0.000 0.277 955 T C 0.767 175.758 174.700 0.486 0.000 0.975 955 T CA -0.344 62.009 62.100 0.421 0.000 0.966 955 T CB 1.292 70.346 68.868 0.311 0.000 1.054 955 T HN 0.705 nan 8.240 nan 0.000 0.533 956 E N -0.388 120.046 120.200 0.390 0.000 2.268 956 E HA -0.071 4.294 4.350 0.026 0.000 0.195 956 E C 1.538 178.233 176.600 0.158 0.000 0.995 956 E CA 0.925 57.453 56.400 0.214 0.000 0.836 956 E CB -0.035 29.696 29.700 0.052 0.000 0.763 956 E HN 0.731 nan 8.360 nan 0.000 0.491 957 T N -1.498 113.162 114.554 0.176 0.000 3.206 957 T HA 0.252 4.618 4.350 0.026 0.000 0.253 957 T C 0.913 175.702 174.700 0.149 0.000 1.042 957 T CA 0.682 62.857 62.100 0.126 0.000 0.931 957 T CB 0.083 69.004 68.868 0.088 0.000 1.029 957 T HN 0.354 nan 8.240 nan 0.000 0.564 958 G N 1.592 110.530 108.800 0.229 0.000 2.176 958 G HA2 -0.202 3.773 3.960 0.026 0.000 0.232 958 G HA3 -0.202 3.773 3.960 0.026 0.000 0.232 958 G C 0.089 175.157 174.900 0.280 0.000 0.986 958 G CA -0.268 44.985 45.100 0.256 0.000 0.643 958 G HN 0.526 nan 8.290 nan 0.000 0.522 959 N N 1.014 119.865 118.700 0.251 0.000 2.399 959 N HA 0.316 5.072 4.740 0.026 0.000 0.259 959 N C 0.469 176.170 175.510 0.317 0.000 1.160 959 N CA -0.055 53.144 53.050 0.249 0.000 0.946 959 N CB 0.550 39.163 38.487 0.211 0.000 1.156 959 N HN 0.506 nan 8.380 nan 0.000 0.489 960 L N 4.666 126.003 121.223 0.189 0.000 2.426 960 L HA 0.295 4.651 4.340 0.026 0.000 0.271 960 L C -0.575 176.380 176.870 0.142 0.000 1.169 960 L CA -0.144 54.727 54.840 0.051 0.000 0.836 960 L CB 0.108 42.038 42.059 -0.214 0.000 1.112 960 L HN 0.460 nan 8.230 nan 0.000 0.465 961 F N 0.910 120.705 119.950 -0.257 0.000 2.628 961 F HA 0.436 4.978 4.527 0.026 0.000 0.309 961 F C -0.773 174.824 175.800 -0.338 0.000 1.108 961 F CA -1.071 56.598 58.000 -0.553 0.000 0.971 961 F CB 0.768 39.712 39.000 -0.095 0.000 1.279 961 F HN 0.344 nan 8.300 nan 0.000 0.441 962 H N 2.986 121.748 119.070 -0.514 0.000 2.551 962 H HA 0.717 5.289 4.556 0.026 0.000 0.358 962 H C -0.242 175.028 175.328 -0.097 0.000 1.151 962 H CA -0.194 55.760 56.048 -0.158 0.000 1.374 962 H CB 2.160 32.057 29.762 0.225 0.000 1.473 962 H HN 0.775 nan 8.280 nan 0.000 0.574 963 I N -1.891 118.509 120.570 -0.284 0.000 3.264 963 I HA 0.288 4.473 4.170 0.026 0.000 0.315 963 I C -0.422 175.358 176.117 -0.562 0.000 1.154 963 I CA -1.065 60.011 61.300 -0.373 0.000 0.962 963 I CB 2.026 39.839 38.000 -0.312 0.000 1.265 963 I HN 0.478 nan 8.210 nan 0.000 0.463 964 D N 1.340 121.522 120.400 -0.364 0.000 2.737 964 D HA -0.221 4.435 4.640 0.026 0.000 0.238 964 D C 0.293 176.553 176.300 -0.066 0.000 1.157 964 D CA 0.854 54.769 54.000 -0.143 0.000 0.694 964 D CB -0.756 40.000 40.800 -0.074 0.000 1.021 964 D HN 0.616 nan 8.370 nan 0.000 0.420 965 F N -0.618 119.467 119.950 0.225 0.000 2.293 965 F HA 0.023 4.566 4.527 0.027 0.000 0.300 965 F C 2.656 178.548 175.800 0.153 0.000 1.086 965 F CA 0.833 58.950 58.000 0.194 0.000 1.375 965 F CB -0.048 39.060 39.000 0.179 0.000 1.045 965 F HN 0.336 nan 8.300 nan 0.000 0.516 966 G N -1.196 107.775 108.800 0.285 0.000 2.443 966 G HA2 -0.183 3.793 3.960 0.026 0.000 0.219 966 G HA3 -0.183 3.793 3.960 0.026 0.000 0.219 966 G C 0.844 175.828 174.900 0.139 0.000 1.131 966 G CA 0.312 45.518 45.100 0.176 0.000 0.775 966 G HN 0.284 nan 8.290 nan 0.000 0.547 982 R N 0.678 121.222 120.500 0.073 0.000 2.856 982 R HA 0.778 5.134 4.340 0.026 0.000 0.258 982 R C -0.579 175.741 176.300 0.034 0.000 1.066 982 R CA -1.140 55.002 56.100 0.070 0.000 1.045 982 R CB 1.070 31.417 30.300 0.079 0.000 1.178 982 R HN 0.267 nan 8.270 nan 0.000 0.499 983 V N 1.794 121.725 119.914 0.028 0.000 2.808 983 V HA 0.299 4.435 4.120 0.026 0.000 0.308 983 V C -1.769 174.310 176.094 -0.024 0.000 1.099 983 V CA -1.874 60.397 62.300 -0.048 0.000 0.920 983 V CB 2.829 34.622 31.823 -0.050 0.000 1.014 983 V HN 0.639 nan 8.190 nan 0.000 0.425 984 P HA 0.085 nan 4.420 nan 0.000 0.225 984 P C -0.303 177.161 177.300 0.273 0.000 1.156 984 P CA 1.034 64.177 63.100 0.072 0.000 0.787 984 P CB 0.033 31.637 31.700 -0.160 0.000 0.802 985 F N -4.573 115.479 119.950 0.170 0.000 2.858 985 F HA 0.430 4.973 4.527 0.026 0.000 0.319 985 F C -1.359 174.537 175.800 0.160 0.000 1.166 985 F CA -1.715 56.416 58.000 0.218 0.000 0.899 985 F CB 0.425 39.576 39.000 0.251 0.000 1.332 985 F HN -0.496 nan 8.300 nan 0.000 0.461 986 V N 2.427 122.641 119.914 0.499 0.000 2.339 986 V HA 0.479 4.614 4.120 0.026 0.000 0.261 986 V C -0.716 175.609 176.094 0.384 0.000 1.058 986 V CA -0.163 62.302 62.300 0.274 0.000 0.897 986 V CB 0.637 32.588 31.823 0.212 0.000 1.052 986 V HN 0.656 nan 8.190 nan 0.000 0.480 987 L N 6.455 127.779 121.223 0.169 0.000 2.470 987 L HA 0.524 4.880 4.340 0.026 0.000 0.253 987 L C 0.530 177.239 176.870 -0.268 0.000 1.163 987 L CA 0.192 55.114 54.840 0.136 0.000 0.932 987 L CB 1.352 43.603 42.059 0.320 0.000 1.213 987 L HN 0.723 nan 8.230 nan 0.000 0.485 988 T N 0.688 114.824 114.554 -0.698 0.000 2.874 988 T HA 0.445 4.811 4.350 0.026 0.000 0.281 988 T C -1.943 172.273 174.700 -0.806 0.000 0.994 988 T CA -1.691 59.842 62.100 -0.944 0.000 1.015 988 T CB 0.837 68.940 68.868 -1.275 0.000 1.028 988 T HN 0.257 nan 8.240 nan 0.000 0.523 989 P HA -0.095 nan 4.420 nan 0.000 0.221 989 P C 1.092 178.271 177.300 -0.201 0.000 1.145 989 P CA 0.962 63.742 63.100 -0.533 0.000 0.795 989 P CB -0.086 31.252 31.700 -0.603 0.000 0.775 990 D N -1.004 119.291 120.400 -0.174 0.000 2.144 990 D HA -0.194 4.461 4.640 0.026 0.000 0.199 990 D C 1.616 178.077 176.300 0.269 0.000 0.984 990 D CA 1.279 55.360 54.000 0.136 0.000 0.834 990 D CB -1.411 39.546 40.800 0.262 0.000 0.955 990 D HN 0.103 nan 8.370 nan 0.000 0.465 991 F N 0.837 120.809 119.950 0.038 0.000 2.146 991 F HA 0.115 4.657 4.527 0.026 0.000 0.298 991 F C 2.494 178.354 175.800 0.099 0.000 1.096 991 F CA 0.020 58.137 58.000 0.195 0.000 1.275 991 F CB -1.154 38.004 39.000 0.263 0.000 1.008 991 F HN -0.028 nan 8.300 nan 0.000 0.480 992 L N -1.480 119.840 121.223 0.162 0.000 2.127 992 L HA -0.251 4.105 4.340 0.026 0.000 0.211 992 L C 2.440 179.341 176.870 0.053 0.000 1.089 992 L CA 1.275 56.129 54.840 0.023 0.000 0.757 992 L CB -0.748 41.234 42.059 -0.129 0.000 0.899 992 L HN 0.047 nan 8.230 nan 0.000 0.434 993 F N -0.346 119.584 119.950 -0.032 0.000 2.367 993 F HA -0.087 4.456 4.527 0.026 0.000 0.298 993 F C 2.148 177.928 175.800 -0.034 0.000 1.094 993 F CA 0.754 58.733 58.000 -0.035 0.000 1.409 993 F CB 0.062 39.040 39.000 -0.036 0.000 1.064 993 F HN -0.269 nan 8.300 nan 0.000 0.528 994 V N 0.598 120.526 119.914 0.024 0.000 2.407 994 V HA -0.329 3.807 4.120 0.026 0.000 0.248 994 V C 2.118 178.132 176.094 -0.134 0.000 1.055 994 V CA 2.041 64.244 62.300 -0.161 0.000 1.049 994 V CB -0.625 30.862 31.823 -0.560 0.000 0.662 994 V HN 0.338 nan 8.190 nan 0.000 0.455 995 M N -0.084 119.510 119.600 -0.010 0.000 2.682 995 M HA 0.217 4.712 4.480 0.026 0.000 0.235 995 M C 1.413 177.749 176.300 0.061 0.000 1.114 995 M CA 0.893 56.246 55.300 0.087 0.000 1.053 995 M CB -0.145 32.565 32.600 0.182 0.000 1.599 995 M HN 0.509 nan 8.290 nan 0.000 0.520 996 G N 1.033 109.762 108.800 -0.118 0.000 2.176 996 G HA2 -0.208 3.768 3.960 0.026 0.000 0.252 996 G HA3 -0.208 3.768 3.960 0.026 0.000 0.252 996 G C 0.045 174.857 174.900 -0.146 0.000 1.024 996 G CA 0.400 45.398 45.100 -0.169 0.000 0.755 996 G HN 0.426 nan 8.290 nan 0.000 0.507 997 T N -0.173 114.287 114.554 -0.157 0.000 2.906 997 T HA 0.789 5.155 4.350 0.026 0.000 0.295 997 T C -0.328 174.312 174.700 -0.100 0.000 1.075 997 T CA 0.275 62.285 62.100 -0.150 0.000 1.005 997 T CB 1.934 70.638 68.868 -0.274 0.000 1.136 997 T HN 1.271 nan 8.240 nan 0.000 0.498 998 S N 0.222 115.862 115.700 -0.100 0.000 2.652 998 S HA 0.568 5.054 4.470 0.026 0.000 0.273 998 S C 0.310 174.867 174.600 -0.072 0.000 1.172 998 S CA -0.445 57.739 58.200 -0.027 0.000 1.009 998 S CB 0.977 64.211 63.200 0.057 0.000 1.094 998 S HN 1.461 nan 8.310 nan 0.000 0.471 999 G N 2.977 111.723 108.800 -0.090 0.000 2.247 999 G HA2 -0.142 3.834 3.960 0.026 0.000 0.265 999 G HA3 -0.142 3.834 3.960 0.026 0.000 0.265 999 G C 0.119 174.966 174.900 -0.088 0.000 0.861 999 G CA 0.327 45.374 45.100 -0.088 0.000 1.289 999 G HN 1.267 nan 8.290 nan 0.000 0.403 1000 K N -0.781 119.545 120.400 -0.123 0.000 4.215 1000 K HA -0.159 4.177 4.320 0.026 0.000 0.318 1000 K C 0.276 176.829 176.600 -0.078 0.000 1.077 1000 K CA 1.832 58.062 56.287 -0.094 0.000 0.979 1000 K CB -1.581 30.885 32.500 -0.057 0.000 1.497 1000 K HN 1.896 nan 8.250 nan 0.000 0.436 1001 K N -1.815 118.516 120.400 -0.115 0.000 2.675 1001 K HA 0.395 4.730 4.320 0.026 0.000 0.280 1001 K C -0.853 175.688 176.600 -0.098 0.000 0.993 1001 K CA -0.792 55.451 56.287 -0.073 0.000 0.863 1001 K CB 0.925 33.392 32.500 -0.055 0.000 1.438 1001 K HN -0.014 nan 8.250 nan 0.000 0.389 1002 T N 1.009 115.569 114.554 0.010 0.000 2.862 1002 T HA 0.686 5.051 4.350 0.026 0.000 0.276 1002 T C -0.363 174.386 174.700 0.082 0.000 0.974 1002 T CA -0.186 61.985 62.100 0.119 0.000 0.966 1002 T CB 1.119 70.084 68.868 0.161 0.000 1.072 1002 T HN 0.877 nan 8.240 nan 0.000 0.538 1003 S N -0.767 115.033 115.700 0.166 0.000 2.595 1003 S HA 0.410 4.896 4.470 0.026 0.000 0.270 1003 S C -2.795 171.870 174.600 0.109 0.000 1.145 1003 S CA -1.176 57.084 58.200 0.100 0.000 0.825 1003 S CB 1.160 64.400 63.200 0.066 0.000 1.107 1003 S HN 0.314 nan 8.310 nan 0.000 0.461 1004 P HA -0.087 nan 4.420 nan 0.000 0.215 1004 P C 1.197 178.451 177.300 -0.077 0.000 1.153 1004 P CA 1.396 64.453 63.100 -0.072 0.000 0.853 1004 P CB -0.132 31.459 31.700 -0.182 0.000 0.788 1005 H N -2.402 116.715 119.070 0.078 0.000 2.389 1005 H HA -0.031 4.541 4.556 0.026 0.000 0.299 1005 H C 1.848 177.273 175.328 0.162 0.000 1.081 1005 H CA 1.006 57.109 56.048 0.091 0.000 1.345 1005 H CB -0.887 28.921 29.762 0.077 0.000 1.393 1005 H HN 0.153 nan 8.280 nan 0.000 0.520 1006 F N 2.003 122.044 119.950 0.153 0.000 2.325 1006 F HA -0.090 4.452 4.527 0.026 0.000 0.299 1006 F C 2.333 178.228 175.800 0.158 0.000 1.090 1006 F CA 0.815 58.906 58.000 0.152 0.000 1.392 1006 F CB 0.037 39.083 39.000 0.077 0.000 1.053 1006 F HN 0.031 nan 8.300 nan 0.000 0.521 1007 Q N 0.140 119.975 119.800 0.060 0.000 2.079 1007 Q HA -0.239 4.117 4.340 0.026 0.000 0.200 1007 Q C 2.190 178.120 176.000 -0.115 0.000 0.974 1007 Q CA 1.815 57.579 55.803 -0.065 0.000 0.840 1007 Q CB -0.250 28.485 28.738 -0.004 0.000 0.898 1007 Q HN 0.345 nan 8.270 nan 0.000 0.430 1008 K N 0.580 120.948 120.400 -0.054 0.000 2.032 1008 K HA -0.203 4.133 4.320 0.026 0.000 0.209 1008 K C 1.780 178.287 176.600 -0.154 0.000 1.048 1008 K CA 1.355 57.589 56.287 -0.088 0.000 0.927 1008 K CB -0.296 32.192 32.500 -0.021 0.000 0.712 1008 K HN 0.146 nan 8.250 nan 0.000 0.441 1009 F N 1.609 121.421 119.950 -0.230 0.000 2.102 1009 F HA -0.205 4.338 4.527 0.027 0.000 0.298 1009 F C 2.047 177.653 175.800 -0.324 0.000 1.105 1009 F CA 1.708 59.549 58.000 -0.264 0.000 1.239 1009 F CB -0.251 38.662 39.000 -0.145 0.000 0.991 1009 F HN 0.141 nan 8.300 nan 0.000 0.474 1010 Q N -0.162 119.377 119.800 -0.435 0.000 2.124 1010 Q HA -0.239 4.116 4.340 0.026 0.000 0.202 1010 Q C 2.042 177.812 176.000 -0.384 0.000 0.977 1010 Q CA 1.641 57.163 55.803 -0.468 0.000 0.850 1010 Q CB -0.431 28.069 28.738 -0.398 0.000 0.901 1010 Q HN 0.466 nan 8.270 nan 0.000 0.429 1011 D N 0.660 120.873 120.400 -0.311 0.000 2.097 1011 D HA -0.151 4.504 4.640 0.026 0.000 0.195 1011 D C 1.680 177.794 176.300 -0.311 0.000 0.989 1011 D CA 1.105 54.955 54.000 -0.249 0.000 0.827 1011 D CB 0.017 40.704 40.800 -0.188 0.000 0.966 1011 D HN 0.236 nan 8.370 nan 0.000 0.456 1012 I N 0.013 120.335 120.570 -0.414 0.000 2.406 1012 I HA -0.225 3.961 4.170 0.026 0.000 0.249 1012 I C 2.755 178.544 176.117 -0.546 0.000 1.122 1012 I CA 0.220 61.236 61.300 -0.474 0.000 1.431 1012 I CB -0.049 37.594 38.000 -0.595 0.000 1.087 1012 I HN 0.117 nan 8.210 nan 0.000 0.424 1013 C N 0.135 119.040 119.300 -0.658 0.000 2.413 1013 C HA -0.145 4.331 4.460 0.026 0.000 0.276 1013 C C 2.878 177.504 174.990 -0.607 0.000 1.248 1013 C CA 0.758 59.351 59.018 -0.708 0.000 1.742 1013 C CB -0.696 26.620 27.740 -0.708 0.000 2.017 1013 C HN 0.344 nan 8.230 nan 0.000 0.481 1014 V N 0.426 120.093 119.914 -0.413 0.000 2.323 1014 V HA -0.170 3.966 4.120 0.026 0.000 0.244 1014 V C 2.451 178.424 176.094 -0.202 0.000 1.041 1014 V CA 1.685 63.835 62.300 -0.250 0.000 1.025 1014 V CB -0.594 31.145 31.823 -0.140 0.000 0.656 1014 V HN 0.523 nan 8.190 nan 0.000 0.451 1015 K N 0.202 120.469 120.400 -0.221 0.000 2.074 1015 K HA -0.227 4.109 4.320 0.026 0.000 0.209 1015 K C 2.253 178.723 176.600 -0.217 0.000 1.048 1015 K CA 1.742 57.919 56.287 -0.183 0.000 0.926 1015 K CB -0.396 31.995 32.500 -0.181 0.000 0.713 1015 K HN 0.488 nan 8.250 nan 0.000 0.444 1016 A N 0.393 122.995 122.820 -0.362 0.000 1.897 1016 A HA -0.183 4.153 4.320 0.026 0.000 0.215 1016 A C 2.031 179.569 177.584 -0.075 0.000 1.181 1016 A CA 1.173 52.926 52.037 -0.472 0.000 0.620 1016 A CB -0.717 17.781 19.000 -0.837 0.000 0.821 1016 A HN 0.387 nan 8.150 nan 0.000 0.443 1017 Y N 1.487 121.570 120.300 -0.361 0.000 2.070 1017 Y HA -0.197 4.369 4.550 0.027 0.000 0.280 1017 Y C 1.986 177.793 175.900 -0.154 0.000 1.148 1017 Y CA 1.941 59.856 58.100 -0.309 0.000 1.125 1017 Y CB -0.621 37.482 38.460 -0.595 0.000 0.975 1017 Y HN 0.312 nan 8.280 nan 0.000 0.492 1018 L N -0.320 120.755 121.223 -0.246 0.000 2.376 1018 L HA 0.263 4.618 4.340 0.026 0.000 0.219 1018 L C 2.133 178.701 176.870 -0.503 0.000 1.133 1018 L CA 1.573 56.157 54.840 -0.426 0.000 0.816 1018 L CB -1.744 40.144 42.059 -0.285 0.000 0.933 1018 L HN 0.114 nan 8.230 nan 0.000 0.449 1019 A N 0.664 123.365 122.820 -0.197 0.000 1.930 1019 A HA 0.007 4.342 4.320 0.026 0.000 0.217 1019 A C 2.261 179.901 177.584 0.094 0.000 1.175 1019 A CA 1.726 53.778 52.037 0.025 0.000 0.627 1019 A CB -0.775 18.389 19.000 0.273 0.000 0.815 1019 A HN 0.500 nan 8.150 nan 0.000 0.443 1020 L N -1.017 120.252 121.223 0.078 0.000 2.046 1020 L HA -0.170 4.186 4.340 0.026 0.000 0.208 1020 L C 2.727 179.564 176.870 -0.055 0.000 1.077 1020 L CA 1.346 56.183 54.840 -0.004 0.000 0.747 1020 L CB -0.574 41.483 42.059 -0.004 0.000 0.896 1020 L HN 0.348 nan 8.230 nan 0.000 0.432 1021 R N -0.605 119.752 120.500 -0.237 0.000 2.200 1021 R HA -0.167 4.189 4.340 0.026 0.000 0.234 1021 R C 2.002 178.216 176.300 -0.142 0.000 1.127 1021 R CA 1.182 57.121 56.100 -0.268 0.000 0.989 1021 R CB -0.501 29.535 30.300 -0.440 0.000 0.869 1021 R HN 0.555 nan 8.270 nan 0.000 0.459 1022 H N -1.295 117.749 119.070 -0.044 0.000 2.521 1022 H HA -0.021 4.551 4.556 0.026 0.000 0.286 1022 H C 0.605 175.790 175.328 -0.239 0.000 1.034 1022 H CA 0.536 56.520 56.048 -0.107 0.000 1.278 1022 H CB 0.199 29.916 29.762 -0.075 0.000 1.386 1022 H HN 0.276 nan 8.280 nan 0.000 0.567 1023 H N -0.473 118.616 119.070 0.031 0.000 2.502 1023 H HA 0.123 4.695 4.556 0.027 0.000 0.268 1023 H C 0.808 176.115 175.328 -0.035 0.000 1.177 1023 H CA -0.046 55.996 56.048 -0.009 0.000 0.961 1023 H CB 0.761 30.503 29.762 -0.033 0.000 1.737 1023 H HN 0.254 nan 8.280 nan 0.000 0.569 1024 T N 0.768 115.335 114.554 0.022 0.000 2.708 1024 T HA -0.138 4.227 4.350 0.026 0.000 0.266 1024 T C 1.882 176.584 174.700 0.003 0.000 1.037 1024 T CA 1.245 63.338 62.100 -0.010 0.000 1.146 1024 T CB 0.163 69.006 68.868 -0.042 0.000 0.865 1024 T HN 0.423 nan 8.240 nan 0.000 0.435 1025 N N 1.257 119.962 118.700 0.008 0.000 2.166 1025 N HA 0.021 4.777 4.740 0.026 0.000 0.186 1025 N C 1.766 177.296 175.510 0.035 0.000 1.019 1025 N CA 0.506 53.567 53.050 0.018 0.000 0.856 1025 N CB -0.630 37.865 38.487 0.013 0.000 0.993 1025 N HN 0.261 nan 8.380 nan 0.000 0.426 1026 L N 0.553 121.802 121.223 0.044 0.000 1.994 1026 L HA -0.123 4.233 4.340 0.026 0.000 0.208 1026 L C 1.809 178.715 176.870 0.060 0.000 1.071 1026 L CA 1.345 56.218 54.840 0.055 0.000 0.745 1026 L CB -0.352 41.760 42.059 0.088 0.000 0.892 1026 L HN 0.169 nan 8.230 nan 0.000 0.431 1027 L N -0.390 120.861 121.223 0.047 0.000 2.046 1027 L HA -0.267 4.089 4.340 0.026 0.000 0.208 1027 L C 2.535 179.448 176.870 0.072 0.000 1.077 1027 L CA 1.242 56.104 54.840 0.037 0.000 0.747 1027 L CB -0.391 41.662 42.059 -0.011 0.000 0.896 1027 L HN 0.272 nan 8.230 nan 0.000 0.432 1028 I N -0.694 119.908 120.570 0.053 0.000 2.361 1028 I HA -0.294 3.891 4.170 0.026 0.000 0.251 1028 I C 2.397 178.598 176.117 0.140 0.000 1.133 1028 I CA 0.955 62.305 61.300 0.083 0.000 1.413 1028 I CB -0.058 37.967 38.000 0.042 0.000 1.073 1028 I HN 0.245 nan 8.210 nan 0.000 0.424 1029 I N 0.572 121.203 120.570 0.102 0.000 2.333 1029 I HA -0.172 4.014 4.170 0.026 0.000 0.246 1029 I C 2.324 178.508 176.117 0.111 0.000 1.106 1029 I CA 1.519 62.875 61.300 0.094 0.000 1.411 1029 I CB -0.475 37.564 38.000 0.065 0.000 1.082 1029 I HN 0.159 nan 8.210 nan 0.000 0.420 1030 L N -0.729 120.566 121.223 0.121 0.000 2.046 1030 L HA -0.263 4.093 4.340 0.026 0.000 0.208 1030 L C 2.579 179.531 176.870 0.137 0.000 1.077 1030 L CA 1.412 56.324 54.840 0.119 0.000 0.747 1030 L CB -0.922 41.203 42.059 0.110 0.000 0.896 1030 L HN 0.138 nan 8.230 nan 0.000 0.432 1031 F N 0.458 120.417 119.950 0.015 0.000 2.134 1031 F HA -0.263 4.280 4.527 0.026 0.000 0.299 1031 F C 2.876 178.686 175.800 0.017 0.000 1.097 1031 F CA 1.765 59.773 58.000 0.014 0.000 1.264 1031 F CB -0.248 38.769 39.000 0.027 0.000 1.001 1031 F HN -0.007 nan 8.300 nan 0.000 0.479 1032 S N 0.020 115.794 115.700 0.124 0.000 2.368 1032 S HA -0.195 4.291 4.470 0.026 0.000 0.224 1032 S C 2.075 176.649 174.600 -0.042 0.000 1.029 1032 S CA 1.521 59.731 58.200 0.016 0.000 0.988 1032 S CB -0.294 62.955 63.200 0.081 0.000 0.838 1032 S HN 0.500 nan 8.310 nan 0.000 0.462 1033 M N 0.503 120.116 119.600 0.022 0.000 2.123 1033 M HA 0.007 4.502 4.480 0.026 0.000 0.263 1033 M C 2.424 178.744 176.300 0.034 0.000 1.069 1033 M CA 1.663 57.020 55.300 0.096 0.000 1.133 1033 M CB -0.417 32.275 32.600 0.153 0.000 1.356 1033 M HN 0.478 nan 8.290 nan 0.000 0.415 1034 M N 0.863 120.439 119.600 -0.040 0.000 2.106 1034 M HA -0.258 4.238 4.480 0.026 0.000 0.259 1034 M C 1.853 178.060 176.300 -0.155 0.000 1.068 1034 M CA 1.826 57.065 55.300 -0.102 0.000 1.100 1034 M CB -0.188 32.336 32.600 -0.127 0.000 1.351 1034 M HN 0.261 nan 8.290 nan 0.000 0.404 1035 L N -0.341 120.732 121.223 -0.251 0.000 2.083 1035 L HA -0.222 4.133 4.340 0.026 0.000 0.209 1035 L C 2.544 179.343 176.870 -0.118 0.000 1.083 1035 L CA 1.404 56.097 54.840 -0.244 0.000 0.752 1035 L CB -0.684 41.159 42.059 -0.360 0.000 0.899 1035 L HN 0.503 nan 8.230 nan 0.000 0.433 1036 M N -0.835 118.735 119.600 -0.049 0.000 2.288 1036 M HA -0.084 4.411 4.480 0.026 0.000 0.266 1036 M C 2.068 178.387 176.300 0.030 0.000 1.072 1036 M CA 1.848 57.167 55.300 0.031 0.000 1.132 1036 M CB -0.270 32.416 32.600 0.143 0.000 1.386 1036 M HN 0.370 nan 8.290 nan 0.000 0.432 1037 T N -4.178 110.374 114.554 -0.004 0.000 3.023 1037 T HA 0.238 4.603 4.350 0.026 0.000 0.253 1037 T C 1.457 176.104 174.700 -0.090 0.000 1.038 1037 T CA 0.569 62.618 62.100 -0.084 0.000 0.962 1037 T CB 0.243 69.023 68.868 -0.147 0.000 1.018 1037 T HN 0.366 nan 8.240 nan 0.000 0.521 1038 G N 0.790 109.543 108.800 -0.079 0.000 2.748 1038 G HA2 0.393 4.369 3.960 0.026 0.000 0.204 1038 G HA3 0.393 4.369 3.960 0.026 0.000 0.204 1038 G C 0.569 175.429 174.900 -0.066 0.000 1.095 1038 G CA -0.252 44.800 45.100 -0.079 0.000 0.775 1038 G HN 0.291 nan 8.290 nan 0.000 0.531 1039 M N 0.207 119.766 119.600 -0.068 0.000 2.799 1039 M HA 0.475 4.971 4.480 0.026 0.000 0.274 1039 M C -2.298 173.976 176.300 -0.044 0.000 1.137 1039 M CA -1.920 53.347 55.300 -0.055 0.000 0.897 1039 M CB -0.284 32.275 32.600 -0.068 0.000 1.567 1039 M HN -0.236 nan 8.290 nan 0.000 0.536 1040 P HA 0.185 nan 4.420 nan 0.000 0.312 1040 P C -0.874 176.422 177.300 -0.007 0.000 1.307 1040 P CA -0.513 62.575 63.100 -0.019 0.000 0.738 1040 P CB 0.075 31.771 31.700 -0.008 0.000 1.422 1041 Q N 0.156 119.968 119.800 0.019 0.000 2.269 1041 Q HA 0.193 4.549 4.340 0.026 0.000 0.300 1041 Q C -0.694 175.356 176.000 0.084 0.000 1.070 1041 Q CA 0.565 56.415 55.803 0.078 0.000 0.957 1041 Q CB -0.454 28.343 28.738 0.099 0.000 1.131 1041 Q HN 0.263 nan 8.270 nan 0.000 0.377 1042 L N 1.151 122.414 121.223 0.067 0.000 2.350 1042 L HA 0.704 5.059 4.340 0.026 0.000 0.260 1042 L C -0.807 175.922 176.870 -0.235 0.000 1.015 1042 L CA -0.848 53.964 54.840 -0.047 0.000 0.821 1042 L CB 0.912 42.918 42.059 -0.087 0.000 1.370 1042 L HN 0.587 nan 8.230 nan 0.000 0.416 1043 T N -1.387 113.027 114.554 -0.233 0.000 2.747 1043 T HA 0.191 4.556 4.350 0.026 0.000 0.301 1043 T C 1.005 175.463 174.700 -0.402 0.000 0.952 1043 T CA -0.249 61.630 62.100 -0.369 0.000 0.983 1043 T CB 0.476 69.268 68.868 -0.127 0.000 0.930 1043 T HN 0.620 nan 8.240 nan 0.000 0.494 1044 S N 2.366 117.647 115.700 -0.698 0.000 2.711 1044 S HA -0.022 4.463 4.470 0.026 0.000 0.237 1044 S C 1.323 175.794 174.600 -0.215 0.000 0.971 1044 S CA 0.720 58.668 58.200 -0.421 0.000 0.964 1044 S CB -0.272 62.659 63.200 -0.449 0.000 0.775 1044 S HN 0.666 nan 8.310 nan 0.000 0.540 1045 K N -0.428 119.869 120.400 -0.171 0.000 2.641 1045 K HA 0.204 4.540 4.320 0.026 0.000 0.222 1045 K C 1.555 178.141 176.600 -0.023 0.000 1.474 1045 K CA -0.278 55.970 56.287 -0.065 0.000 0.873 1045 K CB -0.170 32.310 32.500 -0.033 0.000 1.817 1045 K HN 0.089 nan 8.250 nan 0.000 0.419 1046 E N 1.849 122.040 120.200 -0.015 0.000 2.058 1046 E HA -0.201 4.165 4.350 0.026 0.000 0.194 1046 E C 1.405 178.054 176.600 0.081 0.000 0.997 1046 E CA 1.551 57.974 56.400 0.038 0.000 0.801 1046 E CB -0.063 29.661 29.700 0.040 0.000 0.746 1046 E HN 0.233 nan 8.360 nan 0.000 0.450 1047 D N 0.564 120.993 120.400 0.049 0.000 2.117 1047 D HA -0.127 4.529 4.640 0.026 0.000 0.197 1047 D C 1.995 178.425 176.300 0.216 0.000 0.987 1047 D CA 0.812 54.867 54.000 0.091 0.000 0.829 1047 D CB -0.075 40.723 40.800 -0.003 0.000 0.961 1047 D HN 0.167 nan 8.370 nan 0.000 0.460 1048 I N 0.533 121.196 120.570 0.156 0.000 2.439 1048 I HA -0.115 4.071 4.170 0.026 0.000 0.251 1048 I C 2.013 178.322 176.117 0.319 0.000 1.139 1048 I CA 0.767 62.237 61.300 0.283 0.000 1.438 1048 I CB -0.807 37.259 38.000 0.109 0.000 1.085 1048 I HN -0.017 nan 8.210 nan 0.000 0.427 1049 E N 0.273 120.577 120.200 0.172 0.000 2.478 1049 E HA -0.218 4.148 4.350 0.026 0.000 0.198 1049 E C 1.976 178.617 176.600 0.069 0.000 1.046 1049 E CA 0.241 56.695 56.400 0.090 0.000 0.870 1049 E CB -0.201 29.529 29.700 0.049 0.000 0.818 1049 E HN 0.477 nan 8.360 nan 0.000 0.527 1050 Y N 0.523 120.856 120.300 0.055 0.000 2.151 1050 Y HA -0.281 4.285 4.550 0.027 0.000 0.284 1050 Y C 1.938 177.733 175.900 -0.176 0.000 1.166 1050 Y CA 1.882 59.971 58.100 -0.019 0.000 1.163 1050 Y CB -0.156 38.337 38.460 0.054 0.000 0.974 1050 Y HN 0.138 nan 8.280 nan 0.000 0.511 1051 I N 0.644 121.016 120.570 -0.330 0.000 2.394 1051 I HA -0.249 3.937 4.170 0.026 0.000 0.251 1051 I C 2.678 178.582 176.117 -0.355 0.000 1.136 1051 I CA 1.686 62.650 61.300 -0.561 0.000 1.425 1051 I CB -0.390 37.081 38.000 -0.882 0.000 1.079 1051 I HN 0.333 nan 8.210 nan 0.000 0.425 1052 R N 0.509 120.873 120.500 -0.228 0.000 2.075 1052 R HA -0.189 4.167 4.340 0.026 0.000 0.232 1052 R C 1.560 177.756 176.300 -0.173 0.000 1.126 1052 R CA 2.397 58.406 56.100 -0.151 0.000 0.963 1052 R CB -0.792 29.457 30.300 -0.085 0.000 0.858 1052 R HN 0.317 nan 8.270 nan 0.000 0.435 1053 D N 0.737 121.003 120.400 -0.224 0.000 2.178 1053 D HA -0.041 4.615 4.640 0.026 0.000 0.202 1053 D C 1.862 178.036 176.300 -0.210 0.000 0.974 1053 D CA 1.493 55.367 54.000 -0.211 0.000 0.841 1053 D CB -0.001 40.684 40.800 -0.192 0.000 0.953 1053 D HN 0.479 nan 8.370 nan 0.000 0.478 1054 A N 0.214 122.818 122.820 -0.361 0.000 1.968 1054 A HA -0.002 4.334 4.320 0.026 0.000 0.217 1054 A C 1.901 179.619 177.584 0.223 0.000 1.169 1054 A CA 0.685 52.603 52.037 -0.198 0.000 0.638 1054 A CB -0.424 18.157 19.000 -0.698 0.000 0.812 1054 A HN 0.212 nan 8.150 nan 0.000 0.446 1055 L N -0.485 120.756 121.223 0.029 0.000 2.591 1055 L HA 0.036 4.392 4.340 0.026 0.000 0.228 1055 L C 1.247 178.104 176.870 -0.023 0.000 1.133 1055 L CA 0.566 55.429 54.840 0.037 0.000 0.880 1055 L CB -0.232 41.784 42.059 -0.072 0.000 1.033 1055 L HN 0.451 nan 8.230 nan 0.000 0.450 1056 T N 0.290 114.825 114.554 -0.032 0.000 3.639 1056 T HA -0.179 4.187 4.350 0.026 0.000 0.386 1056 T C 0.307 174.938 174.700 -0.114 0.000 0.764 1056 T CA -0.163 61.854 62.100 -0.139 0.000 1.954 1056 T CB -1.294 67.463 68.868 -0.186 0.000 1.755 1056 T HN 0.042 nan 8.240 nan 0.000 0.715 1057 V N 1.449 121.302 119.914 -0.101 0.000 2.644 1057 V HA 0.361 4.497 4.120 0.026 0.000 0.305 1057 V C 1.996 178.047 176.094 -0.072 0.000 1.053 1057 V CA 1.355 63.607 62.300 -0.081 0.000 1.186 1057 V CB 0.393 32.175 31.823 -0.068 0.000 0.895 1057 V HN 1.488 nan 8.190 nan 0.000 0.490 1058 G N 3.324 112.090 108.800 -0.058 0.000 2.141 1058 G HA2 -0.168 3.807 3.960 0.026 0.000 0.231 1058 G HA3 -0.168 3.807 3.960 0.026 0.000 0.231 1058 G C -0.038 174.837 174.900 -0.042 0.000 0.984 1058 G CA -0.122 44.951 45.100 -0.044 0.000 0.660 1058 G HN 0.559 nan 8.290 nan 0.000 0.525 1059 K N 0.640 121.011 120.400 -0.048 0.000 2.259 1059 K HA 0.489 4.824 4.320 0.026 0.000 0.249 1059 K C 0.433 177.018 176.600 -0.025 0.000 0.942 1059 K CA -0.736 55.529 56.287 -0.035 0.000 0.816 1059 K CB 1.409 33.883 32.500 -0.042 0.000 1.155 1059 K HN 0.434 nan 8.250 nan 0.000 0.428 1060 N N -0.235 118.459 118.700 -0.010 0.000 2.326 1060 N HA -0.025 4.731 4.740 0.026 0.000 0.239 1060 N C 0.511 176.023 175.510 0.003 0.000 1.301 1060 N CA 0.046 53.094 53.050 -0.003 0.000 0.909 1060 N CB 0.520 39.009 38.487 0.004 0.000 1.156 1060 N HN 0.496 nan 8.380 nan 0.000 0.462 1061 E N -0.785 119.418 120.200 0.005 0.000 2.268 1061 E HA -0.150 4.216 4.350 0.026 0.000 0.195 1061 E C 0.890 177.507 176.600 0.029 0.000 0.995 1061 E CA 0.764 57.166 56.400 0.004 0.000 0.836 1061 E CB 0.029 29.733 29.700 0.006 0.000 0.763 1061 E HN 0.607 nan 8.360 nan 0.000 0.491 1062 E N 0.870 121.089 120.200 0.032 0.000 2.072 1062 E HA -0.142 4.224 4.350 0.026 0.000 0.190 1062 E C 1.596 178.236 176.600 0.066 0.000 0.982 1062 E CA 0.732 57.158 56.400 0.043 0.000 0.803 1062 E CB 0.008 29.727 29.700 0.031 0.000 0.755 1062 E HN 0.278 nan 8.360 nan 0.000 0.453 1063 D N 0.985 121.422 120.400 0.061 0.000 2.117 1063 D HA -0.118 4.538 4.640 0.026 0.000 0.197 1063 D C 1.887 178.273 176.300 0.144 0.000 0.987 1063 D CA 1.199 55.248 54.000 0.080 0.000 0.829 1063 D CB -0.128 40.698 40.800 0.043 0.000 0.961 1063 D HN 0.102 nan 8.370 nan 0.000 0.460 1064 A N 1.381 124.286 122.820 0.141 0.000 1.902 1064 A HA -0.205 4.131 4.320 0.026 0.000 0.217 1064 A C 2.111 179.928 177.584 0.388 0.000 1.181 1064 A CA 1.815 54.016 52.037 0.274 0.000 0.623 1064 A CB -0.499 18.582 19.000 0.134 0.000 0.818 1064 A HN 0.193 nan 8.150 nan 0.000 0.443 1065 K N -0.142 120.394 120.400 0.228 0.000 2.057 1065 K HA -0.241 4.094 4.320 0.026 0.000 0.207 1065 K C 2.082 178.782 176.600 0.167 0.000 1.049 1065 K CA 1.962 58.357 56.287 0.180 0.000 0.931 1065 K CB -0.195 32.355 32.500 0.085 0.000 0.714 1065 K HN 0.264 nan 8.250 nan 0.000 0.440 1066 K N 0.043 120.534 120.400 0.151 0.000 2.063 1066 K HA -0.220 4.116 4.320 0.026 0.000 0.208 1066 K C 2.067 178.752 176.600 0.141 0.000 1.048 1066 K CA 1.743 58.104 56.287 0.122 0.000 0.928 1066 K CB -0.497 32.069 32.500 0.111 0.000 0.713 1066 K HN 0.370 nan 8.250 nan 0.000 0.442 1067 Y N -0.781 119.563 120.300 0.073 0.000 2.163 1067 Y HA -0.163 4.404 4.550 0.028 0.000 0.288 1067 Y C 1.863 177.728 175.900 -0.058 0.000 1.136 1067 Y CA 1.760 59.885 58.100 0.041 0.000 1.147 1067 Y CB -0.329 38.201 38.460 0.116 0.000 0.987 1067 Y HN 0.112 nan 8.280 nan 0.000 0.509 1068 F N 0.382 120.229 119.950 -0.171 0.000 2.216 1068 F HA -0.205 4.338 4.527 0.026 0.000 0.300 1068 F C 1.883 177.497 175.800 -0.310 0.000 1.085 1068 F CA 1.437 59.147 58.000 -0.482 0.000 1.326 1068 F CB -0.260 38.371 39.000 -0.616 0.000 1.027 1068 F HN 0.059 nan 8.300 nan 0.000 0.497 1069 L N -0.613 120.589 121.223 -0.034 0.000 2.156 1069 L HA -0.179 4.177 4.340 0.026 0.000 0.208 1069 L C 1.954 178.763 176.870 -0.102 0.000 1.095 1069 L CA 0.966 55.788 54.840 -0.029 0.000 0.770 1069 L CB -0.676 41.394 42.059 0.019 0.000 0.914 1069 L HN 0.037 nan 8.230 nan 0.000 0.439 1070 D N -0.408 119.896 120.400 -0.160 0.000 2.117 1070 D HA -0.164 4.492 4.640 0.026 0.000 0.198 1070 D C 2.328 178.450 176.300 -0.296 0.000 0.982 1070 D CA 0.904 54.795 54.000 -0.181 0.000 0.828 1070 D CB -0.004 40.700 40.800 -0.160 0.000 0.967 1070 D HN 0.258 nan 8.370 nan 0.000 0.464 1071 Q N 0.388 119.880 119.800 -0.514 0.000 2.096 1071 Q HA -0.102 4.254 4.340 0.026 0.000 0.204 1071 Q C 2.613 178.310 176.000 -0.506 0.000 0.982 1071 Q CA 0.588 56.003 55.803 -0.648 0.000 0.850 1071 Q CB -0.398 27.698 28.738 -1.071 0.000 0.901 1071 Q HN 0.437 nan 8.270 nan 0.000 0.422 1072 I N 1.188 121.617 120.570 -0.234 0.000 2.208 1072 I HA -0.259 3.927 4.170 0.026 0.000 0.245 1072 I C 2.115 178.226 176.117 -0.009 0.000 1.097 1072 I CA 1.129 62.469 61.300 0.066 0.000 1.363 1072 I CB -0.193 37.962 38.000 0.259 0.000 1.051 1072 I HN 0.137 nan 8.210 nan 0.000 0.413 1073 E N 0.276 120.445 120.200 -0.050 0.000 2.204 1073 E HA -0.115 4.251 4.350 0.026 0.000 0.194 1073 E C 2.396 178.930 176.600 -0.110 0.000 0.989 1073 E CA 0.858 57.233 56.400 -0.043 0.000 0.824 1073 E CB -0.251 29.433 29.700 -0.026 0.000 0.756 1073 E HN 0.344 nan 8.360 nan 0.000 0.477 1074 V N 0.804 120.607 119.914 -0.185 0.000 2.295 1074 V HA -0.281 3.854 4.120 0.026 0.000 0.246 1074 V C 2.489 178.459 176.094 -0.207 0.000 1.049 1074 V CA 1.679 63.864 62.300 -0.192 0.000 1.024 1074 V CB -0.654 31.033 31.823 -0.227 0.000 0.648 1074 V HN 0.311 nan 8.190 nan 0.000 0.447 1075 C N -0.237 118.890 119.300 -0.288 0.000 2.410 1075 C HA -0.112 4.364 4.460 0.026 0.000 0.281 1075 C C 2.823 177.696 174.990 -0.196 0.000 1.318 1075 C CA 0.538 59.400 59.018 -0.260 0.000 1.776 1075 C CB -1.358 26.206 27.740 -0.294 0.000 1.942 1075 C HN 0.475 nan 8.230 nan 0.000 0.508 1076 R N 1.209 121.619 120.500 -0.149 0.000 2.062 1076 R HA -0.080 4.276 4.340 0.026 0.000 0.229 1076 R C 1.674 177.892 176.300 -0.137 0.000 1.128 1076 R CA 1.670 57.682 56.100 -0.147 0.000 0.960 1076 R CB -0.686 29.549 30.300 -0.107 0.000 0.855 1076 R HN 0.529 nan 8.270 nan 0.000 0.432 1077 D N 0.648 120.984 120.400 -0.108 0.000 2.104 1077 D HA -0.153 4.502 4.640 0.026 0.000 0.194 1077 D C 1.812 178.064 176.300 -0.080 0.000 0.994 1077 D CA 1.407 55.359 54.000 -0.081 0.000 0.830 1077 D CB -0.026 40.736 40.800 -0.064 0.000 0.959 1077 D HN -0.033 nan 8.370 nan 0.000 0.452 1078 K N -0.101 120.243 120.400 -0.094 0.000 2.148 1078 K HA 0.065 4.401 4.320 0.026 0.000 0.204 1078 K C 1.487 178.033 176.600 -0.090 0.000 1.050 1078 K CA 0.855 57.100 56.287 -0.071 0.000 0.942 1078 K CB -0.582 31.870 32.500 -0.079 0.000 0.724 1078 K HN 0.231 nan 8.250 nan 0.000 0.446 1079 G N 0.262 108.948 108.800 -0.190 0.000 2.692 1079 G HA2 -0.365 3.611 3.960 0.026 0.000 0.339 1079 G HA3 -0.365 3.611 3.960 0.026 0.000 0.339 1079 G C 0.865 175.542 174.900 -0.371 0.000 1.226 1079 G CA 0.817 45.711 45.100 -0.343 0.000 0.979 1079 G HN 0.523 nan 8.290 nan 0.000 0.549 1080 W N 1.314 122.573 121.300 -0.069 0.000 3.256 1080 W HA 0.298 4.974 4.660 0.027 0.000 0.269 1080 W C 2.840 179.397 176.519 0.063 0.000 1.310 1080 W CA 0.507 57.819 57.345 -0.056 0.000 1.673 1080 W CB 0.043 29.515 29.460 0.020 0.000 1.115 1080 W HN 0.446 nan 8.180 nan 0.000 0.686 1081 T N 0.464 115.167 114.554 0.248 0.000 2.665 1081 T HA -0.239 4.127 4.350 0.026 0.000 0.268 1081 T C 1.816 176.709 174.700 0.322 0.000 1.035 1081 T CA 1.640 63.908 62.100 0.280 0.000 1.151 1081 T CB -0.573 68.393 68.868 0.162 0.000 0.862 1081 T HN -0.064 nan 8.240 nan 0.000 0.438 1082 V N 1.253 121.305 119.914 0.229 0.000 2.379 1082 V HA -0.107 4.029 4.120 0.026 0.000 0.245 1082 V C 2.758 179.046 176.094 0.323 0.000 1.044 1082 V CA 1.306 63.745 62.300 0.232 0.000 1.036 1082 V CB -0.505 31.407 31.823 0.149 0.000 0.664 1082 V HN 0.391 nan 8.190 nan 0.000 0.453 1083 Q N -0.671 119.314 119.800 0.308 0.000 2.096 1083 Q HA -0.217 4.139 4.340 0.026 0.000 0.204 1083 Q C 2.131 178.558 176.000 0.711 0.000 0.982 1083 Q CA 1.960 57.983 55.803 0.367 0.000 0.850 1083 Q CB -0.596 28.076 28.738 -0.110 0.000 0.901 1083 Q HN 0.700 nan 8.270 nan 0.000 0.422 1084 F N 2.431 122.712 119.950 0.552 0.000 2.113 1084 F HA -0.149 4.393 4.527 0.026 0.000 0.297 1084 F C 1.674 177.754 175.800 0.466 0.000 1.103 1084 F CA 1.261 59.589 58.000 0.546 0.000 1.248 1084 F CB -0.422 38.775 39.000 0.328 0.000 0.999 1084 F HN 0.026 nan 8.300 nan 0.000 0.475 1085 N N 0.155 118.889 118.700 0.057 0.000 2.137 1085 N HA -0.273 4.483 4.740 0.026 0.000 0.190 1085 N C 1.536 177.055 175.510 0.015 0.000 1.017 1085 N CA 1.598 54.540 53.050 -0.179 0.000 0.859 1085 N CB -1.078 37.439 38.487 0.051 0.000 1.002 1085 N HN 0.643 nan 8.380 nan 0.000 0.428 1086 W N 0.871 122.206 121.300 0.059 0.000 2.302 1086 W HA -0.220 4.456 4.660 0.026 0.000 0.320 1086 W C 1.773 178.174 176.519 -0.197 0.000 1.241 1086 W CA 1.613 58.906 57.345 -0.087 0.000 1.264 1086 W CB -0.697 28.530 29.460 -0.388 0.000 1.154 1086 W HN -0.005 nan 8.180 nan 0.000 0.483 1087 F N -0.241 119.824 119.950 0.192 0.000 2.171 1087 F HA -0.218 4.325 4.527 0.026 0.000 0.300 1087 F C 2.449 178.112 175.800 -0.228 0.000 1.090 1087 F CA 1.508 59.518 58.000 0.017 0.000 1.293 1087 F CB -1.215 37.846 39.000 0.102 0.000 1.013 1087 F HN -0.099 nan 8.300 nan 0.000 0.486 1088 L N -0.638 120.410 121.223 -0.290 0.000 2.093 1088 L HA -0.230 4.125 4.340 0.026 0.000 0.208 1088 L C 2.581 179.286 176.870 -0.275 0.000 1.085 1088 L CA 1.726 56.319 54.840 -0.411 0.000 0.755 1088 L CB -0.568 41.037 42.059 -0.757 0.000 0.904 1088 L HN 0.221 nan 8.230 nan 0.000 0.435 1089 H N 0.244 119.171 119.070 -0.238 0.000 2.326 1089 H HA -0.100 4.472 4.556 0.026 0.000 0.301 1089 H C 2.405 177.578 175.328 -0.259 0.000 1.081 1089 H CA 1.367 57.277 56.048 -0.229 0.000 1.334 1089 H CB -0.266 29.337 29.762 -0.266 0.000 1.385 1089 H HN 0.350 nan 8.280 nan 0.000 0.504 1090 L N 1.317 122.395 121.223 -0.242 0.000 2.283 1090 L HA -0.134 4.222 4.340 0.026 0.000 0.217 1090 L C 1.743 178.532 176.870 -0.136 0.000 1.104 1090 L CA 0.981 55.655 54.840 -0.278 0.000 0.772 1090 L CB -0.595 41.242 42.059 -0.371 0.000 0.899 1090 L HN 0.145 nan 8.230 nan 0.000 0.439 1091 V N -2.723 117.136 119.914 -0.092 0.000 3.219 1091 V HA 0.364 4.500 4.120 0.026 0.000 0.377 1091 V C 0.262 176.333 176.094 -0.037 0.000 1.275 1091 V CA -0.028 62.241 62.300 -0.051 0.000 1.366 1091 V CB -0.193 31.609 31.823 -0.035 0.000 1.282 1091 V HN 0.218 nan 8.190 nan 0.000 0.487 1092 L N 0.000 121.200 121.223 -0.038 0.000 2.949 1092 L HA 0.000 4.356 4.340 0.026 0.000 0.249 1092 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 1092 L CB 0.000 42.086 42.059 0.045 0.000 0.961 1092 L HN 0.000 nan 8.230 nan 0.000 0.502